3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C22H24N4O2 — CID 42655392

IUPAC3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccccc1CN1CN(c2ccccc2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C22H24N4O2/c1-16-17(2)23-22-25(19-10-5-4-6-11-19)14-24(15-26(22)21(16)27)13-18-9-7-8-12-20(18)28-3/h4-12H,13-15H2,1-3H3
InChIKeyJNYNINJRABQCLJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.44
Rot. Bonds4

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

3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 42655392) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID42655392
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccccc1CN1CN(c2ccccc2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C22H24N4O2/c1-16-17(2)23-22-25(19-10-5-4-6-11-19)14-24(15-26(22)21(16)27)13-18-9-7-8-12-20(18)28-3/h4-12H,13-15H2,1-3H3
InChIKeyJNYNINJRABQCLJ-UHFFFAOYSA-N
XLogP3.44
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66492475
3-benzyl-1-(4-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 42654181
7,8-dimethyl-1-phenyl-3-propyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66492499
3-(3-hydroxypropyl)-1-(4-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 43865469
7,8-dimethyl-3-(3-methylbutyl)-1-(4-phenoxyphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493149
7-benzyl-3-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66492776
3-[(2-chlorophenyl)methyl]-7-ethyl-8-methyl-1-(4-phenoxyphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493059
3-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493377
7,8-dimethyl-1-(4-methylphenyl)-3-(2-morpholin-4-ylethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 42653274
1-(2-methoxyphenyl)-7,8-dimethyl-3-(2-methylcyclohexyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493360
7-benzyl-3-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493282
3-cycloheptyl-1-(2-methoxyphenyl)-7,8-dimethyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 66493368

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 42655392) is 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is COc1ccccc1CN1CN(c2ccccc2)c2nc(C)c(C)c(=O)n2C1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is JNYNINJRABQCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-17(2)23-22-25(19-10-5-4-6-11-19)14-24(15-26(22)21(16)27)13-18-9-7-8-12-20(18)28-3/h4-12H,13-15H2,1-3H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 376.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-phenyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 42655392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).