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

C21H21N5O — CID 667372

IUPAC8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(NC2=NC(c3ccc(C)cc3)n3c(nc(C)cc3=O)N2)cc1
InChIInChI=1S/C21H21N5O/c1-13-4-8-16(9-5-13)19-24-20(23-17-10-6-14(2)7-11-17)25-21-22-15(3)12-18(27)26(19)21/h4-12,19H,1-3H3,(H2,22,23,24,25)
InChIKeyKUAHYNTVYFRSRQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.61
Rot. Bonds2

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

8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 667372) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID667372
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(NC2=NC(c3ccc(C)cc3)n3c(nc(C)cc3=O)N2)cc1
InChIInChI=1S/C21H21N5O/c1-13-4-8-16(9-5-13)19-24-20(23-17-10-6-14(2)7-11-17)25-21-22-15(3)12-18(27)26(19)21/h4-12,19H,1-3H3,(H2,22,23,24,25)
InChIKeyKUAHYNTVYFRSRQ-UHFFFAOYSA-N
XLogP3.61
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 667372) is 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1ccc(NC2=NC(c3ccc(C)cc3)n3c(nc(C)cc3=O)N2)cc1.
What is the InChIKey of 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is KUAHYNTVYFRSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-13-4-8-16(9-5-13)19-24-20(23-17-10-6-14(2)7-11-17)25-21-22-15(3)12-18(27)26(19)21/h4-12,19H,1-3H3,(H2,22,23,24,25).
What are the key properties of 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 359.43 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylanilino)-4-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 667372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).