2-(Isopropylamino)pyrimidine-5-carbaldehyde

CAS
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Purity
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CAS
959239-00-0
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM959239000

Product Name

2-(Isopropylamino)pyrimidine-5-carbaldehyde

Structure

Structure

CAS

959239-00-0

Category

Heterocyclic Organic Compound

Synonyms

Ambcb4026231, CTK5H8375, ZINC19091560, AKOS000284194, AG-H-94409, 2-(ISOPROPYLAMINO)PYRIMIDINE-5-CARBALDEHYDE, 959239-00-0

IUPAC Name

2-(propan-2-ylamino)pyrimidine-5-carbaldehyde

Molecular Weight

165.192440 [g/mol]

Molecular Formula

C8H11N3O

Canonical SMILES

CC(C)NC1=NC=C(C=N1)C=O

InChI Key

IMBOMYGUCUKZMX-UHFFFAOYSA-N

Boiling Point

305.4ºC at 760 mmHg

Flash Point

138.5ºC

Density

1.176g/cm³

Exact Mass

165.09000

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound 2-(Isopropylamino)pyrimidine-5-carbaldehyde?

The molecular formula is C8H11N3O.

When was the compound created and when was it last modified?

The compound was created on May 28, 2009, and last modified on December 30, 2023.

What is the IUPAC name of 2-(Isopropylamino)pyrimidine-5-carbaldehyde?

The IUPAC name is 2-(propan-2-ylamino)pyrimidine-5-carbaldehyde.

What is the InChI of the compound?

InChI=1S/C8H11N3O/c1-6(2)11-8-9-3-7(5-12)4-10-8/h3-6H,1-2H3,(H,9,10,11)

What is the InChIKey of 2-(Isopropylamino)pyrimidine-5-carbaldehyde?

IMBOMYGUCUKZMX-UHFFFAOYSA-N

What is the Canonical SMILES representation of the compound?

CC(C)NC1=NC=C(C=N1)C=O

What is the CAS number of 2-(Isopropylamino)pyrimidine-5-carbaldehyde?

The CAS number is 959239-00-0.

What is the molecular weight of the compound?

The molecular weight is 165.19 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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