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

C20H19N5O2 — CID 667321

IUPAC4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(NC2=NC(c3ccc(O)cc3)n3c(nc(C)cc3=O)N2)cc1
InChIInChI=1S/C20H19N5O2/c1-12-3-7-15(8-4-12)22-19-23-18(14-5-9-16(26)10-6-14)25-17(27)11-13(2)21-20(25)24-19/h3-11,18,26H,1-2H3,(H2,21,22,23,24)
InChIKeyQBYDFOCAIFXZEP-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.01
Rot. Bonds2

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

4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 667321) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID667321
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(NC2=NC(c3ccc(O)cc3)n3c(nc(C)cc3=O)N2)cc1
InChIInChI=1S/C20H19N5O2/c1-12-3-7-15(8-4-12)22-19-23-18(14-5-9-16(26)10-6-14)25-17(27)11-13(2)21-20(25)24-19/h3-11,18,26H,1-2H3,(H2,21,22,23,24)
InChIKeyQBYDFOCAIFXZEP-UHFFFAOYSA-N
XLogP3.01
TPSA91.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 667321) is 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is Cc1ccc(NC2=NC(c3ccc(O)cc3)n3c(nc(C)cc3=O)N2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is QBYDFOCAIFXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-3-7-15(8-4-12)22-19-23-18(14-5-9-16(26)10-6-14)25-17(27)11-13(2)21-20(25)24-19/h3-11,18,26H,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 361.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-8-methyl-2-(4-methylanilino)-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 667321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).