1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C24H34N4O — CID 66493550

IUPAC1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CN(C1CCCCC1C)CN2c1cccc(C)c1C
InChIInChI=1S/C24H34N4O/c1-6-20-19(5)25-24-27(22-13-9-11-16(2)18(22)4)14-26(15-28(24)23(20)29)21-12-8-7-10-17(21)3/h9,11,13,17,21H,6-8,10,12,14-15H2,1-5H3
InChIKeyVQZIBTAUELKKCC-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.68
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66493550) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66493550
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CN(C1CCCCC1C)CN2c1cccc(C)c1C
InChIInChI=1S/C24H34N4O/c1-6-20-19(5)25-24-27(22-13-9-11-16(2)18(22)4)14-26(15-28(24)23(20)29)21-12-8-7-10-17(21)3/h9,11,13,17,21H,6-8,10,12,14-15H2,1-5H3
InChIKeyVQZIBTAUELKKCC-UHFFFAOYSA-N
XLogP4.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 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 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66493550) is 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is CCc1c(C)nc2n(c1=O)CN(C1CCCCC1C)CN2c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is VQZIBTAUELKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-6-20-19(5)25-24-27(22-13-9-11-16(2)18(22)4)14-26(15-28(24)23(20)29)21-12-8-7-10-17(21)3/h9,11,13,17,21H,6-8,10,12,14-15H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 394.56 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-7-ethyl-8-methyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66493550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).