6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C12H17N3O2 — CID 20671573

IUPAC6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNc1c(C)nc2n(c1=O)C(C(C)=O)CCC2
InChIInChI=1S/C12H17N3O2/c1-7-11(13-3)12(17)15-9(8(2)16)5-4-6-10(15)14-7/h9,13H,4-6H2,1-3H3
InChIKeyCVNJOYGHEHMQPJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.06
Rot. Bonds2

About 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 20671573) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID20671573
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNc1c(C)nc2n(c1=O)C(C(C)=O)CCC2
InChIInChI=1S/C12H17N3O2/c1-7-11(13-3)12(17)15-9(8(2)16)5-4-6-10(15)14-7/h9,13H,4-6H2,1-3H3
InChIKeyCVNJOYGHEHMQPJ-UHFFFAOYSA-N
XLogP1.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 20671573) is 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CNc1c(C)nc2n(c1=O)C(C(C)=O)CCC2.
What is the InChIKey of 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CVNJOYGHEHMQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-11(13-3)12(17)15-9(8(2)16)5-4-6-10(15)14-7/h9,13H,4-6H2,1-3H3.
What are the key properties of 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 20671573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).