4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine

C12H10Cl2N2 — CID 121205787

IUPAC4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2/c1-8-15-11(7-12(14)16-8)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyXJIPKEXAWYMSLF-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.68
Rot. Bonds2

About 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine

4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine (PubChem CID 121205787) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
PubChem CID121205787
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2/c1-8-15-11(7-12(14)16-8)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3
InChIKeyXJIPKEXAWYMSLF-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine (CID 121205787) is 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine is Cc1nc(Cl)cc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine?
The InChIKey is XJIPKEXAWYMSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-8-15-11(7-12(14)16-8)6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine?
4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine has a molecular weight of 253.13 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine is sourced from PubChem (CID 121205787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).