6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile

C18H14N4O — CID 73292300

IUPAC6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile
SMILESCc1ccccc1-n1c(N)c(C#N)c(-c2ccccc2)nc1=O
InChIInChI=1S/C18H14N4O/c1-12-7-5-6-10-15(12)22-17(20)14(11-19)16(21-18(22)23)13-8-3-2-4-9-13/h2-10H,20H2,1H3
InChIKeyUYONHWTXHUACSK-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.66
Rot. Bonds2

About 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile

6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile (PubChem CID 73292300) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile
PubChem CID73292300
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile
SMILESCc1ccccc1-n1c(N)c(C#N)c(-c2ccccc2)nc1=O
InChIInChI=1S/C18H14N4O/c1-12-7-5-6-10-15(12)22-17(20)14(11-19)16(21-18(22)23)13-8-3-2-4-9-13/h2-10H,20H2,1H3
InChIKeyUYONHWTXHUACSK-UHFFFAOYSA-N
XLogP2.66
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-naphthalen-1-yl-2-oxo-4-phenylpyrimidine-5-carbonitrile;methanol
CID 139093032
6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile
CID 101421017
6-amino-1-(4-methylphenyl)-4-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile
CID 5297911
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
2-amino-1-[4-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridinyl)phenyl]-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 139225060
3-amino-5-oxo-7-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,6-dicarbonitrile
CID 1285614
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14950768
1-[2-[2-(5-cyano-6-oxo-2,4-diphenylpyrimidin-1-yl)ethyldisulfanyl]ethyl]-6-oxo-2,4-diphenylpyrimidine-5-carbonitrile
CID 11467992
3-amino-6-(2-methylphenyl)-5-phenylpyrazine-2-carbonitrile
CID 164523722
5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 142525327
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile (CID 73292300) is 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile is Cc1ccccc1-n1c(N)c(C#N)c(-c2ccccc2)nc1=O.
What is the InChIKey of 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile?
The InChIKey is UYONHWTXHUACSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-7-5-6-10-15(12)22-17(20)14(11-19)16(21-18(22)23)13-8-3-2-4-9-13/h2-10H,20H2,1H3.
What are the key properties of 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile?
6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylphenyl)-2-oxo-4-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 73292300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).