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

C23H32N4O — CID 66492571

IUPAC7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CN(C1CCCCC1C)CN2c1ccc(C)cc1
InChIInChI=1S/C23H32N4O/c1-5-20-18(4)24-23-26(19-12-10-16(2)11-13-19)14-25(15-27(23)22(20)28)21-9-7-6-8-17(21)3/h10-13,17,21H,5-9,14-15H2,1-4H3
InChIKeyRVMKRUYAFSNWEC-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.37
Rot. Bonds3

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

7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66492571) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66492571
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCCc1c(C)nc2n(c1=O)CN(C1CCCCC1C)CN2c1ccc(C)cc1
InChIInChI=1S/C23H32N4O/c1-5-20-18(4)24-23-26(19-12-10-16(2)11-13-19)14-25(15-27(23)22(20)28)21-9-7-6-8-17(21)3/h10-13,17,21H,5-9,14-15H2,1-4H3
InChIKeyRVMKRUYAFSNWEC-UHFFFAOYSA-N
XLogP4.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66492571) is 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is CCc1c(C)nc2n(c1=O)CN(C1CCCCC1C)CN2c1ccc(C)cc1.
What is the InChIKey of 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is RVMKRUYAFSNWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-5-20-18(4)24-23-26(19-12-10-16(2)11-13-19)14-25(15-27(23)22(20)28)21-9-7-6-8-17(21)3/h10-13,17,21H,5-9,14-15H2,1-4H3.
What are the key properties of 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 380.54 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-3-(2-methylcyclohexyl)-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66492571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).