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

C11H15N2OW- — CID 59017605

IUPAC3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
SMILES[CH2-]Cc1c(C)nc2n(c1=O)CCCC2.[W]
InChIInChI=1S/C11H15N2O.W/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14;/h1,3-7H2,2H3;/q-1;
InChIKeyPDKUIZNFTGCLRJ-UHFFFAOYSA-N
MW375.09 g/mol
LogP1.26
Rot. Bonds1

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

3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten (PubChem CID 59017605) has the molecular formula C11H15N2OW- and a molecular weight of 375.09 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten.

Molecular Properties

Compound Name3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
PubChem CID59017605
Molecular FormulaC11H15N2OW-
Molecular Weight375.09 g/mol
Exact Mass375.07
IUPAC Name3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
SMILES[CH2-]Cc1c(C)nc2n(c1=O)CCCC2.[W]
InChIInChI=1S/C11H15N2O.W/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14;/h1,3-7H2,2H3;/q-1;
InChIKeyPDKUIZNFTGCLRJ-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-one
CID 526440
3H-Pyrimidin-4-one, 2,3-tetramethyleno-5,6-trimethyleno
CID 523980
2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one
CID 12485602
9-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 12485605
3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one
CID 2763079
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
3-(2-chloroethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido(1,2-a)pyrimidin-4-one hydrochloride
CID 15605782
3-Ethyl-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154699920
10-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081392
11-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081393
12-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081394

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten?
The IUPAC name of 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten (CID 59017605) is 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten.
What is the SMILES notation for 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten?
The canonical SMILES for 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten is [CH2-]Cc1c(C)nc2n(c1=O)CCCC2.[W].
What is the InChIKey of 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten?
The InChIKey is PDKUIZNFTGCLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O.W/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14;/h1,3-7H2,2H3;/q-1;.
What are the key properties of 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten?
3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten has a molecular weight of 375.09 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten is sourced from PubChem (CID 59017605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).