(4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one

C19H25N7O — CID 136823963

IUPAC(4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)N/C(=N\CCN1CCCCC1)N[C@H]2c1cccnc1
InChIInChI=1S/C19H25N7O/c1-14-12-16(27)26-17(15-6-5-7-20-13-15)23-18(24-19(26)22-14)21-8-11-25-9-3-2-4-10-25/h5-7,12-13,17H,2-4,8-11H2,1H3,(H2,21,22,23,24)/t17-/m1/s1
InChIKeyZSLPISOHWZAGGZ-QGZVFWFLSA-N
MW367.46 g/mol
LogP1.35
Rot. Bonds4

About (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one

(4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one (PubChem CID 136823963) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name(4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
PubChem CID136823963
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name(4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
SMILESCc1cc(=O)n2c(n1)N/C(=N\CCN1CCCCC1)N[C@H]2c1cccnc1
InChIInChI=1S/C19H25N7O/c1-14-12-16(27)26-17(15-6-5-7-20-13-15)23-18(24-19(26)22-14)21-8-11-25-9-3-2-4-10-25/h5-7,12-13,17H,2-4,8-11H2,1H3,(H2,21,22,23,24)/t17-/m1/s1
InChIKeyZSLPISOHWZAGGZ-QGZVFWFLSA-N
XLogP1.35
TPSA87.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[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

Frequently Asked Questions

What is the IUPAC name of (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The IUPAC name of (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one (CID 136823963) is (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The canonical SMILES for (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one is Cc1cc(=O)n2c(n1)N/C(=N\CCN1CCCCC1)N[C@H]2c1cccnc1.
What is the InChIKey of (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one?
The InChIKey is ZSLPISOHWZAGGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N7O/c1-14-12-16(27)26-17(15-6-5-7-20-13-15)23-18(24-19(26)22-14)21-8-11-25-9-3-2-4-10-25/h5-7,12-13,17H,2-4,8-11H2,1H3,(H2,21,22,23,24)/t17-/m1/s1.
What are the key properties of (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one?
(4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one has a molecular weight of 367.46 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methyl-2-(2-piperidin-1-ylethylimino)-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 136823963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).