4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine

C18H14Cl2N2 — CID 139199162

IUPAC4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine
SMILESCc1nc(Cc2cccc(Cl)c2)cc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H14Cl2N2/c1-12-21-17(9-13-4-2-6-15(19)8-13)11-18(22-12)14-5-3-7-16(20)10-14/h2-8,10-11H,9H2,1H3
InChIKeyRVUQYRFDWXZHHK-UHFFFAOYSA-N
MW329.23 g/mol
LogP5.35
Rot. Bonds3

About 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine

4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine (PubChem CID 139199162) has the molecular formula C18H14Cl2N2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine
PubChem CID139199162
Molecular FormulaC18H14Cl2N2
Molecular Weight329.23 g/mol
Exact Mass328.05
IUPAC Name4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine
SMILESCc1nc(Cc2cccc(Cl)c2)cc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H14Cl2N2/c1-12-21-17(9-13-4-2-6-15(19)8-13)11-18(22-12)14-5-3-7-16(20)10-14/h2-8,10-11H,9H2,1H3
InChIKeyRVUQYRFDWXZHHK-UHFFFAOYSA-N
XLogP5.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.23
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine
CID 82169007
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
CID 121206796
2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine
CID 118600805
2-[(3-chlorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 117137235
4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
CID 121205787
4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82296144
2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 51359989
1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
CID 118048453
ethyl 2-benzyl-6-(3-chlorophenyl)-4-methylpyridine-3-carboxylate
CID 175029958
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287793
2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 3668980
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine?
The IUPAC name of 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine (CID 139199162) is 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine is Cc1nc(Cc2cccc(Cl)c2)cc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine?
The InChIKey is RVUQYRFDWXZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2/c1-12-21-17(9-13-4-2-6-15(19)8-13)11-18(22-12)14-5-3-7-16(20)10-14/h2-8,10-11H,9H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine?
4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine has a molecular weight of 329.23 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine is sourced from PubChem (CID 139199162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).