4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile

C19H14ClN3O — CID 1487107

IUPAC4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3cccc(C)c3)nc(Cl)c2C#N)cc1
InChIInChI=1S/C19H14ClN3O/c1-12-4-3-5-14(10-12)19-22-17(16(11-21)18(20)23-19)13-6-8-15(24-2)9-7-13/h3-10H,1-2H3
InChIKeyRDRDINOENUTUAD-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.65
Rot. Bonds3

About 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile

4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile (PubChem CID 1487107) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile
PubChem CID1487107
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3cccc(C)c3)nc(Cl)c2C#N)cc1
InChIInChI=1S/C19H14ClN3O/c1-12-4-3-5-14(10-12)19-22-17(16(11-21)18(20)23-19)13-6-8-15(24-2)9-7-13/h3-10H,1-2H3
InChIKeyRDRDINOENUTUAD-UHFFFAOYSA-N
XLogP4.65
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile (CID 1487107) is 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile is COc1ccc(-c2nc(-c3cccc(C)c3)nc(Cl)c2C#N)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile?
The InChIKey is RDRDINOENUTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-12-4-3-5-14(10-12)19-22-17(16(11-21)18(20)23-19)13-6-8-15(24-2)9-7-13/h3-10H,1-2H3.
What are the key properties of 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile?
4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile has a molecular weight of 335.79 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 1487107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).