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Structure

4-(3,4-Dichlorophenyl)-5,6-dimethylpyrimidin-2-amine

CAS
913322-57-3
Catalog Number
ACM913322573
Category
Other Products
Molecular Weight
268.14184
Molecular Formula
C12H11Cl2N3

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Specification

Synonyms
4-(3,4-DICHLOROPHENYL)-5,6-DIMETHYLPYRIMIDIN-2-AMINE
What is the molecular formula of the compound?

The molecular formula is C12H11Cl2N3.

What is the molecular weight of the compound?

The molecular weight is 268.14 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-(3,4-dichlorophenyl)-5,6-dimethylpyrimidin-2-amine.

What is the InChI of the compound?

The InChI is InChI=1S/C12H11Cl2N3/c1-6-7(2)16-12(15)17-11(6)8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H2,15,16,17).

What is the InChIKey of the compound?

The InChIKey is AQWVVCRVFXUGDM-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is CC1=C(N=C(N=C1C2=CC(=C(C=C2)Cl)Cl)N)C.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.5.

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 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.

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