3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C23H32N4O — CID 66492965

IUPAC3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cccc(N2CN(C3CCCC(C)C3C)Cn3c2nc(C)c(C)c3=O)c1
InChIInChI=1S/C23H32N4O/c1-15-8-6-10-20(12-15)26-13-25(21-11-7-9-16(2)17(21)3)14-27-22(28)18(4)19(5)24-23(26)27/h6,8,10,12,16-17,21H,7,9,11,13-14H2,1-5H3
InChIKeyNAQYYANOUDMVOE-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.36
Rot. Bonds2

About 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66492965) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66492965
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cccc(N2CN(C3CCCC(C)C3C)Cn3c2nc(C)c(C)c3=O)c1
InChIInChI=1S/C23H32N4O/c1-15-8-6-10-20(12-15)26-13-25(21-11-7-9-16(2)17(21)3)14-27-22(28)18(4)19(5)24-23(26)27/h6,8,10,12,16-17,21H,7,9,11,13-14H2,1-5H3
InChIKeyNAQYYANOUDMVOE-UHFFFAOYSA-N
XLogP4.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66492965) is 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1cccc(N2CN(C3CCCC(C)C3C)Cn3c2nc(C)c(C)c3=O)c1.
What is the InChIKey of 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is NAQYYANOUDMVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-15-8-6-10-20(12-15)26-13-25(21-11-7-9-16(2)17(21)3)14-27-22(28)18(4)19(5)24-23(26)27/h6,8,10,12,16-17,21H,7,9,11,13-14H2,1-5H3.
What are the key properties of 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 380.54 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylcyclohexyl)-7,8-dimethyl-1-(3-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66492965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).