2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one

C20H19N5O — CID 135427165

IUPAC2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)N/C(=N\Cc1ccccc1)NC2c1ccccc1
InChIInChI=1S/C20H19N5O/c1-14-12-17(26)25-18(16-10-6-3-7-11-16)23-19(24-20(25)22-14)21-13-15-8-4-2-5-9-15/h2-12,18H,13H2,1H3,(H2,21,22,23,24)
InChIKeyNQRYQBNILYHWHG-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.67
Rot. Bonds3

About 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one

2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 135427165) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID135427165
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)N/C(=N\Cc1ccccc1)NC2c1ccccc1
InChIInChI=1S/C20H19N5O/c1-14-12-17(26)25-18(16-10-6-3-7-11-16)23-19(24-20(25)22-14)21-13-15-8-4-2-5-9-15/h2-12,18H,13H2,1H3,(H2,21,22,23,24)
InChIKeyNQRYQBNILYHWHG-UHFFFAOYSA-N
XLogP2.67
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667
9-(Benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 10269329
2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-4-phenyl-6H-pyrimidin-1-ylmethyl]benzonitrile
CID 11188314
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
8-methyl-4-(4-methylphenyl)-2-[(4-methylphenyl)amino]-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 667372
(E)-2-(benzylamino)-3-((benzylimino)methyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1538262
2-(benzylamino)-3-[(E)-(benzylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1625442
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-benzylpiperazin-1-yl)-N-ethylacetamide
CID 5011099
(E)-2-Cyano-3-(2-dibenzylamino-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-N-methyl-acrylamide
CID 5926970

Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one (CID 135427165) is 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one is Cc1cc(=O)n2c(n1)N/C(=N\Cc1ccccc1)NC2c1ccccc1.
What is the InChIKey of 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is NQRYQBNILYHWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-12-17(26)25-18(16-10-6-3-7-11-16)23-19(24-20(25)22-14)21-13-15-8-4-2-5-9-15/h2-12,18H,13H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one?
2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 345.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-8-methyl-4-phenyl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 135427165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).