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

C24H21N5O2 — CID 135838574

IUPAC2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc(NC2=NC(c3cccc4ccccc34)n3c(nc(C)cc3=O)N2)cc1
InChIInChI=1S/C24H21N5O2/c1-15-14-21(30)29-22(20-9-5-7-16-6-3-4-8-19(16)20)27-23(28-24(29)25-15)26-17-10-12-18(31-2)13-11-17/h3-14,22H,1-2H3,(H2,25,26,27,28)
InChIKeyHVZDOQAHRGJKPC-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.15
Rot. Bonds3

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

2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 135838574) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID135838574
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCOc1ccc(NC2=NC(c3cccc4ccccc34)n3c(nc(C)cc3=O)N2)cc1
InChIInChI=1S/C24H21N5O2/c1-15-14-21(30)29-22(20-9-5-7-16-6-3-4-8-19(16)20)27-23(28-24(29)25-15)26-17-10-12-18(31-2)13-11-17/h3-14,22H,1-2H3,(H2,25,26,27,28)
InChIKeyHVZDOQAHRGJKPC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxyphenyl)-N-(N-(naphthalen-1-ylmethyl)carbamimidoyl)piperazine-1-carboxamide
CID 10202089
xv1-[2-(4-Benzyl-piperidin-1-ylmethyl)-benzyl]-3-(4-methoxy-phenyl)-urea
CID 11826382
1-[2-[3-(4-Methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-phenylphenyl)urea
CID 49821660
4-(4-methoxyphenyl)-8-methyl-2-[(4-methylphenyl)amino]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 666084
1-(5,7-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-(4-methoxy-phenyl)-1-phenethyl-urea
CID 1462538
(E)-3-((benzylimino)methyl)-2-((4-methoxyphenyl)amino)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4151467
N'-(4-methoxyphenyl)-1,3-dihydrobenzo[de]isoquinoline-2-carboximidamide
CID 44375641
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(4-ethoxyphenyl)acetamide
CID 49813401
2-{2-[(3,5-dimethylphenyl)amino]-4-methyl-6-oxopyrimidin-1(6H)-yl}-N-(4-ethoxyphenyl)acetamide
CID 51364700
2-{2-[Benzyl(methyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(4-methoxyphenyl)acetamide
CID 91904072
2-(4-methoxyphenyl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299420
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-methylpyrimidin-4(3H)-one
CID 49813460

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one (CID 135838574) is 2-(4-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-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is COc1ccc(NC2=NC(c3cccc4ccccc34)n3c(nc(C)cc3=O)N2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is HVZDOQAHRGJKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15-14-21(30)29-22(20-9-5-7-16-6-3-4-8-19(16)20)27-23(28-24(29)25-15)26-17-10-12-18(31-2)13-11-17/h3-14,22H,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one?
2-(4-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-(4-methoxyanilino)-8-methyl-4-naphthalen-1-yl-1,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 135838574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).