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

C20H19N5O — CID 666579

IUPAC8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(NC2=NC(c3ccccc3)n3c(nc(C)cc3=O)N2)cc1
InChIInChI=1S/C20H19N5O/c1-13-8-10-16(11-9-13)22-19-23-18(15-6-4-3-5-7-15)25-17(26)12-14(2)21-20(25)24-19/h3-12,18H,1-2H3,(H2,21,22,23,24)
InChIKeyPDHSBMFWMDOHCI-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.30
Rot. Bonds2

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

8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 666579) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID666579
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(NC2=NC(c3ccccc3)n3c(nc(C)cc3=O)N2)cc1
InChIInChI=1S/C20H19N5O/c1-13-8-10-16(11-9-13)22-19-23-18(15-6-4-3-5-7-15)25-17(26)12-14(2)21-20(25)24-19/h3-12,18H,1-2H3,(H2,21,22,23,24)
InChIKeyPDHSBMFWMDOHCI-UHFFFAOYSA-N
XLogP3.30
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.30
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-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 666579) is 8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1ccc(NC2=NC(c3ccccc3)n3c(nc(C)cc3=O)N2)cc1.
What is the InChIKey of 8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is PDHSBMFWMDOHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-8-10-16(11-9-13)22-19-23-18(15-6-4-3-5-7-15)25-17(26)12-14(2)21-20(25)24-19/h3-12,18H,1-2H3,(H2,21,22,23,24).
What are the key properties of 8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
8-methyl-2-(4-methylanilino)-4-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 345.41 g/mol, XLogP of 3.30, 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-phenyl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 666579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).