4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine

C12H10Cl2N2 — CID 60996954

IUPAC4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
SMILESCc1nc(-c2ccc(Cl)cc2)nc(Cl)c1C
InChIInChI=1S/C12H10Cl2N2/c1-7-8(2)15-12(16-11(7)14)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKeySIHJBPGSYWHWGP-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.07
Rot. Bonds1

About 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine

4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine (PubChem CID 60996954) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
PubChem CID60996954
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
SMILESCc1nc(-c2ccc(Cl)cc2)nc(Cl)c1C
InChIInChI=1S/C12H10Cl2N2/c1-7-8(2)15-12(16-11(7)14)9-3-5-10(13)6-4-9/h3-6H,1-2H3
InChIKeySIHJBPGSYWHWGP-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

2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311
4,6-dichloro-5-methyl-2-pyridin-4-ylpyrimidine
CID 63612812
1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62745644
1-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767166
4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
CID 60996659
4-(4-chlorophenyl)-6-methyl-1,3,5-triazin-2-amine
CID 12798609
2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
CID 66426213
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
2-(5-bromothiophen-2-yl)-4-chloro-5,6-dimethylpyrimidine
CID 60996521

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine (CID 60996954) is 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine is Cc1nc(-c2ccc(Cl)cc2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine?
The InChIKey is SIHJBPGSYWHWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-7-8(2)15-12(16-11(7)14)9-3-5-10(13)6-4-9/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine?
4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine 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 4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 60996954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).