6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine

C13H13Cl2N3 — CID 66256721

IUPAC6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-7-5-4-6-10(14)11(7)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3,(H,16,17,18)
InChIKeyNOVLUVVDHKKQOA-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.45
Rot. Bonds2

About 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 66256721) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID66256721
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-7-5-4-6-10(14)11(7)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3,(H,16,17,18)
InChIKeyNOVLUVVDHKKQOA-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine (CID 66256721) is 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(Nc2c(C)cccc2Cl)n1.
What is the InChIKey of 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is NOVLUVVDHKKQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-7-5-4-6-10(14)11(7)18-13-8(2)12(15)16-9(3)17-13/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66256721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).