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

C23H26N4O2 — CID 66492475

IUPAC3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccccc1CN1CN(c2ccc(C)cc2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C23H26N4O2/c1-16-9-11-20(12-10-16)26-14-25(13-19-7-5-6-8-21(19)29-4)15-27-22(28)17(2)18(3)24-23(26)27/h5-12H,13-15H2,1-4H3
InChIKeyBIBAYKWDDDBERB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.75
Rot. Bonds4

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

3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 66492475) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID66492475
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccccc1CN1CN(c2ccc(C)cc2)c2nc(C)c(C)c(=O)n2C1
InChIInChI=1S/C23H26N4O2/c1-16-9-11-20(12-10-16)26-14-25(13-19-7-5-6-8-21(19)29-4)15-27-22(28)17(2)18(3)24-23(26)27/h5-12H,13-15H2,1-4H3
InChIKeyBIBAYKWDDDBERB-UHFFFAOYSA-N
XLogP3.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 66492475) is 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-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-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is COc1ccccc1CN1CN(c2ccc(C)cc2)c2nc(C)c(C)c(=O)n2C1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is BIBAYKWDDDBERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-9-11-20(12-10-16)26-14-25(13-19-7-5-6-8-21(19)29-4)15-27-22(28)17(2)18(3)24-23(26)27/h5-12H,13-15H2,1-4H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
3-[(2-methoxyphenyl)methyl]-7,8-dimethyl-1-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 390.49 g/mol, XLogP of 3.75, 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-(4-methylphenyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 66492475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).