(5-cyano-2,6-diphenylpyrimidin-4-yl)urea

C18H13N5O — CID 14983641

IUPAC(5-cyano-2,6-diphenylpyrimidin-4-yl)urea
SMILESN#Cc1c(NC(N)=O)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H13N5O/c19-11-14-15(12-7-3-1-4-8-12)21-16(13-9-5-2-6-10-13)22-17(14)23-18(20)24/h1-10H,(H3,20,21,22,23,24)
InChIKeyJOMUCUOJBZQATI-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.17
Rot. Bonds3

About (5-cyano-2,6-diphenylpyrimidin-4-yl)urea

(5-cyano-2,6-diphenylpyrimidin-4-yl)urea (PubChem CID 14983641) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is (5-cyano-2,6-diphenylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name(5-cyano-2,6-diphenylpyrimidin-4-yl)urea
PubChem CID14983641
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name(5-cyano-2,6-diphenylpyrimidin-4-yl)urea
SMILESN#Cc1c(NC(N)=O)nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H13N5O/c19-11-14-15(12-7-3-1-4-8-12)21-16(13-9-5-2-6-10-13)22-17(14)23-18(20)24/h1-10H,(H3,20,21,22,23,24)
InChIKeyJOMUCUOJBZQATI-UHFFFAOYSA-N
XLogP3.17
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-cyano-2,6-diphenylpyrimidin-4-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-(5-cyano-2,6-diphenylpyrimidin-4-yl)sulfanylacetate
CID 10737300
[[5-cyano-2-(2-methylpropylsulfanyl)-6-phenylpyrimidin-4-yl]amino]urea
CID 162639331
2,4-diphenyl-6-phenylsulfanylpyrimidine-5-carbonitrile
CID 3816338
N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide
CID 13499577
(3,6-diphenyl-1,2,4-triazin-5-yl)hydrazine
CID 6405036
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
(2-cyanophenyl)urea
CID 13155570
4-chloro-6-phenyl-2-pyrimidin-5-ylpyrimidine-5-carbonitrile
CID 135388050
N-(3-cyano-4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)acetamide
CID 711450
methyl (2R)-2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate
CID 135552470
2-cyano-5-phenyl-1,3-thiazole-4-carboxamide
CID 86066277
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862

Frequently Asked Questions

What is the IUPAC name of (5-cyano-2,6-diphenylpyrimidin-4-yl)urea?
The IUPAC name of (5-cyano-2,6-diphenylpyrimidin-4-yl)urea (CID 14983641) is (5-cyano-2,6-diphenylpyrimidin-4-yl)urea.
What is the SMILES notation for (5-cyano-2,6-diphenylpyrimidin-4-yl)urea?
The canonical SMILES for (5-cyano-2,6-diphenylpyrimidin-4-yl)urea is N#Cc1c(NC(N)=O)nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (5-cyano-2,6-diphenylpyrimidin-4-yl)urea?
The InChIKey is JOMUCUOJBZQATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-11-14-15(12-7-3-1-4-8-12)21-16(13-9-5-2-6-10-13)22-17(14)23-18(20)24/h1-10H,(H3,20,21,22,23,24).
What are the key properties of (5-cyano-2,6-diphenylpyrimidin-4-yl)urea?
(5-cyano-2,6-diphenylpyrimidin-4-yl)urea has a molecular weight of 315.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-2,6-diphenylpyrimidin-4-yl)urea is sourced from PubChem (CID 14983641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).