2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

C24H21N5O2 — CID 135838573

IUPAC2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccccc1NC1=NC(c2cccc3ccccc23)n2c(nc(C)cc2=O)N1
InChIInChI=1S/C24H21N5O2/c1-15-14-21(30)29-22(18-11-7-9-16-8-3-4-10-17(16)18)27-23(28-24(29)25-15)26-19-12-5-6-13-20(19)31-2/h3-14,22H,1-2H3,(H2,25,26,27,28)
InChIKeyUULFIWWSGHRVGT-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.15
Rot. Bonds3

About 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 135838573) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID135838573
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccccc1NC1=NC(c2cccc3ccccc23)n2c(nc(C)cc2=O)N1
InChIInChI=1S/C24H21N5O2/c1-15-14-21(30)29-22(18-11-7-9-16-8-3-4-10-17(16)18)27-23(28-24(29)25-15)26-19-12-5-6-13-20(19)31-2/h3-14,22H,1-2H3,(H2,25,26,27,28)
InChIKeyUULFIWWSGHRVGT-UHFFFAOYSA-N
XLogP4.15
TPSA80.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 135838573) is 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is COc1ccccc1NC1=NC(c2cccc3ccccc23)n2c(nc(C)cc2=O)N1.
What is the InChIKey of 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is UULFIWWSGHRVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15-14-21(30)29-22(18-11-7-9-16-8-3-4-10-17(16)18)27-23(28-24(29)25-15)26-19-12-5-6-13-20(19)31-2/h3-14,22H,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 411.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 135838573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).