5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile

C24H26N8O — CID 142525327

IUPAC5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
SMILESCCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1C.N#Cc1c(N)nc(N)nc1N
InChIInChI=1S/C19H20N2O.C5H6N6/c1-4-8-17-20-15-11-7-10-14(3)18(15)19(22)21(17)16-12-6-5-9-13(16)2;6-1-2-3(7)10-5(9)11-4(2)8/h5-7,9-12H,4,8H2,1-3H3;(H6,7,8,9,10,11)
InChIKeyGFLUTZVXRDTYOS-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.05
Rot. Bonds3

About 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile

5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile (PubChem CID 142525327) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
PubChem CID142525327
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
SMILESCCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1C.N#Cc1c(N)nc(N)nc1N
InChIInChI=1S/C19H20N2O.C5H6N6/c1-4-8-17-20-15-11-7-10-14(3)18(15)19(22)21(17)16-12-6-5-9-13(16)2;6-1-2-3(7)10-5(9)11-4(2)8/h5-7,9-12H,4,8H2,1-3H3;(H6,7,8,9,10,11)
InChIKeyGFLUTZVXRDTYOS-UHFFFAOYSA-N
XLogP3.05
TPSA162.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-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

Related Compounds

5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine
CID 144810797
3-ethyl-8-methyl-2-phenylisoquinolin-1-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 142525336
2,4-diamino-6-methylpyrimidine-5-carbonitrile;N-hydroxy-6-(4-oxo-3-phenyl-2-propylquinazolin-5-yl)hexanamide
CID 142506241
2,4-diamino-6-[2-[5-chloro-3-(3-fluoro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90237627
2,4-diamino-6-[[3-(3,5-difluorophenyl)-5-methyl-4-oxoquinazolin-2-yl]-propylamino]pyrimidine-5-carbonitrile
CID 90237260
2-[(4-amino-1,3,5-triazin-2-yl)sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10221995
2-[(2-amino-6-chloropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10181189
methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate
CID 139035369
2,4-diamino-6-[2-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90237995
2,4-diamino-6-[2-[5-chloro-3-(4-fluoro-2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 90237296
2-[[4-amino-3-[2-(dimethylamino)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 145494611
5-chloro-8-fluoro-2-propyl-3-pyridin-3-ylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 144759664

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile?
The IUPAC name of 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile (CID 142525327) is 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile.
What is the SMILES notation for 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile?
The canonical SMILES for 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile is CCCc1nc2cccc(C)c2c(=O)n1-c1ccccc1C.N#Cc1c(N)nc(N)nc1N.
What is the InChIKey of 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile?
The InChIKey is GFLUTZVXRDTYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.C5H6N6/c1-4-8-17-20-15-11-7-10-14(3)18(15)19(22)21(17)16-12-6-5-9-13(16)2;6-1-2-3(7)10-5(9)11-4(2)8/h5-7,9-12H,4,8H2,1-3H3;(H6,7,8,9,10,11).
What are the key properties of 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile?
5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile has a molecular weight of 442.53 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile is sourced from PubChem (CID 142525327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).