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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Related Compounds

6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629
2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
3,5-dichloro-N-(2-chloro-6-methylphenyl)-6-hydrazinylpyridin-2-amine
CID 102762246
6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine
CID 66251442
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 79073311
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
CID 55229292
N-(2-chloro-6-methylphenyl)-3,5-difluoro-6-hydrazinylpyridin-2-amine
CID 114073334
1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297856
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 107614914
2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile
CID 66255713

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).