Structure

6-Chloro-N-cyclopropyl-2-(methylthio)pyrimidin-4-amine

CAS
951884-05-2
Catalog Number
ACM951884052
Category
Other Products
Molecular Weight
215.7
Molecular Formula
C8H10ClN3S

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What is the molecular formula of the compound 6-Chloro-N-cyclopropyl-2-(methylthio)pyrimidin-4-amine?

The molecular formula is C8H10ClN3S.

When was the compound first created and last modified?

It was first created on 2009-05-28 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is 6-chloro-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is CSC1=NC(=CC(=N1)Cl)NC2CC2.

What is the InChI code of the compound?

The InChI code is InChI=1S/C8H10ClN3S/c1-13-8-11-6(9)4-7(12-8)10-5-2-3-5/h4-5H,2-3H2,1H3,(H,10,11,12).

What is the molecular weight of the compound?

The molecular weight is 215.70 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.9.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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