2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile

C19H15N3O2 — CID 71111941

IUPAC2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile
SMILESCc1nc(-c2ccccc2)n(C)c(=O)c1Oc1ccccc1C#N
InChIInChI=1S/C19H15N3O2/c1-13-17(24-16-11-7-6-10-15(16)12-20)19(23)22(2)18(21-13)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyXHOQDSGMCNEGMW-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.42
Rot. Bonds3

About 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile

2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile (PubChem CID 71111941) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile
PubChem CID71111941
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile
SMILESCc1nc(-c2ccccc2)n(C)c(=O)c1Oc1ccccc1C#N
InChIInChI=1S/C19H15N3O2/c1-13-17(24-16-11-7-6-10-15(16)12-20)19(23)22(2)18(21-13)14-8-4-3-5-9-14/h3-11H,1-2H3
InChIKeyXHOQDSGMCNEGMW-UHFFFAOYSA-N
XLogP3.42
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile?
The IUPAC name of 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile (CID 71111941) is 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile?
The canonical SMILES for 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile is Cc1nc(-c2ccccc2)n(C)c(=O)c1Oc1ccccc1C#N.
What is the InChIKey of 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile?
The InChIKey is XHOQDSGMCNEGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-13-17(24-16-11-7-6-10-15(16)12-20)19(23)22(2)18(21-13)14-8-4-3-5-9-14/h3-11H,1-2H3.
What are the key properties of 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile?
2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-6-oxo-2-phenylpyrimidin-5-yl)oxybenzonitrile is sourced from PubChem (CID 71111941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).