4-Isopropoxy-6-methyl-2-pyrimidinamine

CAS
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Purity
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CAS
90556-28-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM90556288

Product Name

4-Isopropoxy-6-methyl-2-pyrimidinamine

CAS

90556-28-8

Category

Heterocyclic Organic Compound

Synonyms

4-isopropoxy-6-methylpyrimidin-2-amine, 90556-28-8, ZINC00073322, AC1LBCZG, Maybridge3_004603, AC1Q57RS, SureCN8795406, Oprea1_718532, CTK5G8086, CCG-775, MolPort-002-912-600, HMS1444B05, RDR02028, AR-1G2955, AKOS006272149, AG-K-83713, MCULE-1863360126, 4-Isopropoxy-6-methyl-2-pyrimidinamine, IDI1_015990, AK121382

IUPAC Name

4-methyl-6-propan-2-yloxypyrimidin-2-amine

Molecular Weight

167.208320 [g/mol]

Molecular Formula

C8H13N3O

Canonical SMILES

CC1=CC(=NC(=N1)N)OC(C)C

InChI Key

SGSMTBSMVGCSHB-UHFFFAOYSA-N

Boiling Point

334.8ºC at 760 mmHg

Flash Point

156.3ºC

Density

1.101g/cm³

Exact Mass

167.10600

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound?

The molecular formula of the compound is C8H13N3O.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-methyl-6-propan-2-yloxypyrimidin-2-amine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H13N3O/c1-5(2)12-7-4-6(3)10-8(9)11-7/h4-5H,1-3H3,(H2,9,10,11).

What is the InChIKey of the compound?

The InChIKey of the compound is SGSMTBSMVGCSHB-UHFFFAOYSA-N.

What is the molecular weight of the compound?

The molecular weight of the compound is 167.21 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.4.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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