3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten

C10H13N2OW- — CID 59974001

IUPAC3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
SMILES[CH2-]c1c(C)nc2n(c1=O)CCCC2.[W]
InChIInChI=1S/C10H13N2O.W/c1-7-8(2)11-9-5-3-4-6-12(9)10(7)13;/h1,3-6H2,2H3;/q-1;
InChIKeyYBYXLRZRCDORTC-UHFFFAOYSA-N
MW361.07 g/mol
LogP1.07
Rot. Bonds

About 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten

3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten (PubChem CID 59974001) has the molecular formula C10H13N2OW- and a molecular weight of 361.07 g/mol. Its IUPAC name is 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten.

Molecular Properties

Compound Name3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
PubChem CID59974001
Molecular FormulaC10H13N2OW-
Molecular Weight361.07 g/mol
Exact Mass361.05
IUPAC Name3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
SMILES[CH2-]c1c(C)nc2n(c1=O)CCCC2.[W]
InChIInChI=1S/C10H13N2O.W/c1-7-8(2)11-9-5-3-4-6-12(9)10(7)13;/h1,3-6H2,2H3;/q-1;
InChIKeyYBYXLRZRCDORTC-UHFFFAOYSA-N
XLogP1.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten 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

4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
3-Ethyl-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154699920
3-Ethyl-2,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14274965
3,6-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 601212
3-Ethenyl-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 71415697
3-Methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 10775915
3-Methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-one
CID 59283967
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 3-methyl
CID 529096
2,6-dimethyl-3-ethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine
CID 12527432
3-(2-Azidoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 129823594
2-Isopropylidene-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one
CID 601153
3-Ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-A]pyrimidin-4-one
CID 12527431

Frequently Asked Questions

What is the IUPAC name of 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten?
The IUPAC name of 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten (CID 59974001) is 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten.
What is the SMILES notation for 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten?
The canonical SMILES for 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten is [CH2-]c1c(C)nc2n(c1=O)CCCC2.[W].
What is the InChIKey of 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten?
The InChIKey is YBYXLRZRCDORTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O.W/c1-7-8(2)11-9-5-3-4-6-12(9)10(7)13;/h1,3-6H2,2H3;/q-1;.
What are the key properties of 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten?
3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten has a molecular weight of 361.07 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten is sourced from PubChem (CID 59974001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).