2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile

C33H23N5 — CID 46845919

IUPAC2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cnc(-c3ccccc3)nc2Cc2ccccc2)nc1Cc1cccc2ccccc12
InChIInChI=1S/C33H23N5/c34-20-27-21-35-33(37-30(27)19-26-16-9-15-24-12-7-8-17-28(24)26)29-22-36-32(25-13-5-2-6-14-25)38-31(29)18-23-10-3-1-4-11-23/h1-17,21-22H,18-19H2
InChIKeyZBEUUDKQJXQKOD-UHFFFAOYSA-N
MW489.58 g/mol
LogP6.81
Rot. Bonds6

About 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile

2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile (PubChem CID 46845919) has the molecular formula C33H23N5 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile
PubChem CID46845919
Molecular FormulaC33H23N5
Molecular Weight489.58 g/mol
Exact Mass489.20
IUPAC Name2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cnc(-c3ccccc3)nc2Cc2ccccc2)nc1Cc1cccc2ccccc12
InChIInChI=1S/C33H23N5/c34-20-27-21-35-33(37-30(27)19-26-16-9-15-24-12-7-8-17-28(24)26)29-22-36-32(25-13-5-2-6-14-25)38-31(29)18-23-10-3-1-4-11-23/h1-17,21-22H,18-19H2
InChIKeyZBEUUDKQJXQKOD-UHFFFAOYSA-N
XLogP6.81
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile 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-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile (CID 46845919) is 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile is N#Cc1cnc(-c2cnc(-c3ccccc3)nc2Cc2ccccc2)nc1Cc1cccc2ccccc12.
What is the InChIKey of 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile?
The InChIKey is ZBEUUDKQJXQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N5/c34-20-27-21-35-33(37-30(27)19-26-16-9-15-24-12-7-8-17-28(24)26)29-22-36-32(25-13-5-2-6-14-25)38-31(29)18-23-10-3-1-4-11-23/h1-17,21-22H,18-19H2.
What are the key properties of 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile?
2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile has a molecular weight of 489.58 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-phenylpyrimidin-5-yl)-4-(naphthalen-1-ylmethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 46845919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).