4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile

C19H15N3O2 — CID 135496594

IUPAC4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3cccc(C)c3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-12-4-3-5-14(10-12)18-21-17(16(11-20)19(23)22-18)13-6-8-15(24-2)9-7-13/h3-10H,1-2H3,(H,21,22,23)
InChIKeyRGIGGGHDVYENGV-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.29
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile

4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 135496594) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID135496594
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(-c3cccc(C)c3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-12-4-3-5-14(10-12)18-21-17(16(11-20)19(23)22-18)13-6-8-15(24-2)9-7-13/h3-10H,1-2H3,(H,21,22,23)
InChIKeyRGIGGGHDVYENGV-UHFFFAOYSA-N
XLogP3.29
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 135496594) is 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile is COc1ccc(-c2nc(-c3cccc(C)c3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is RGIGGGHDVYENGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-4-3-5-14(10-12)18-21-17(16(11-20)19(23)22-18)13-6-8-15(24-2)9-7-13/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile?
4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135496594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).