4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine

C23H17ClN2O — CID 131698334

IUPAC4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3cccc(Cl)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17ClN2O/c1-27-20-12-10-16(11-13-20)21-15-22(18-8-5-9-19(24)14-18)26-23(25-21)17-6-3-2-4-7-17/h2-15H,1H3
InChIKeyHJNKPRCIXCSDQF-UHFFFAOYSA-N
MW372.86 g/mol
LogP6.14
Rot. Bonds4

About 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine

4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine (PubChem CID 131698334) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
PubChem CID131698334
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC Name4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine
SMILESCOc1ccc(-c2cc(-c3cccc(Cl)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H17ClN2O/c1-27-20-12-10-16(11-13-20)21-15-22(18-8-5-9-19(24)14-18)26-23(25-21)17-6-3-2-4-7-17/h2-15H,1H3
InChIKeyHJNKPRCIXCSDQF-UHFFFAOYSA-N
XLogP6.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine (CID 131698334) is 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine is COc1ccc(-c2cc(-c3cccc(Cl)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine?
The InChIKey is HJNKPRCIXCSDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c1-27-20-12-10-16(11-13-20)21-15-22(18-8-5-9-19(24)14-18)26-23(25-21)17-6-3-2-4-7-17/h2-15H,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine?
4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine has a molecular weight of 372.86 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(4-methoxyphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 131698334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).