2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine

C12H10Cl2N2 — CID 115504189

IUPAC2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc(C)c(Cl)c2)nc(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c1-7-3-4-9(6-10(7)13)11-5-8(2)15-12(14)16-11/h3-6H,1-2H3
InChIKeyDIWDLDUZEXSNPM-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.07
Rot. Bonds1

About 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine

2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine (PubChem CID 115504189) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
PubChem CID115504189
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
SMILESCc1cc(-c2ccc(C)c(Cl)c2)nc(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c1-7-3-4-9(6-10(7)13)11-5-8(2)15-12(14)16-11/h3-6H,1-2H3
InChIKeyDIWDLDUZEXSNPM-UHFFFAOYSA-N
XLogP4.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-chloro-6-methylpyrimidin-4-yl)-1H-benzimidazole
CID 116897384
6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
CID 116897385
2-chloro-4-[4-(4-chlorophenoxy)phenyl]-6-methylpyrimidine
CID 71493533
2-chloro-4-methyl-6-pyrimidin-5-ylpyrimidine
CID 79072665
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
2-chloro-4-(2-chlorophenyl)-6-methylpyrimidine
CID 79073157
2-chloro-4,6-dimethylpyrimidine
CID 20550
2-tert-butyl-6-(3-chloro-4-methylphenyl)-N-methylpyrimidin-4-amine
CID 115504214
6-(3-chloro-4-methylphenyl)-N-methylpyridin-2-amine
CID 115504278
2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
CID 82299783
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136955676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine?
The IUPAC name of 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine (CID 115504189) is 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine is Cc1cc(-c2ccc(C)c(Cl)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine?
The InChIKey is DIWDLDUZEXSNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-7-3-4-9(6-10(7)13)11-5-8(2)15-12(14)16-11/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine?
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine has a molecular weight of 253.13 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine is sourced from PubChem (CID 115504189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).