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

C11H15N3O2 — CID 54016263

IUPAC6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2n(c1=O)C(C(C)=O)CCC2
InChIInChI=1S/C11H15N3O2/c1-7(15)9-4-3-5-10-13-6-8(12-2)11(16)14(9)10/h6,9,12H,3-5H2,1-2H3
InChIKeyKVVPVHPVSILHSX-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.75
Rot. Bonds2

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

6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 54016263) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID54016263
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2n(c1=O)C(C(C)=O)CCC2
InChIInChI=1S/C11H15N3O2/c1-7(15)9-4-3-5-10-13-6-8(12-2)11(16)14(9)10/h6,9,12H,3-5H2,1-2H3
InChIKeyKVVPVHPVSILHSX-UHFFFAOYSA-N
XLogP0.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 54016263) is 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CNc1cnc2n(c1=O)C(C(C)=O)CCC2.
What is the InChIKey of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KVVPVHPVSILHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(15)9-4-3-5-10-13-6-8(12-2)11(16)14(9)10/h6,9,12H,3-5H2,1-2H3.
What are the key properties of 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 221.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 54016263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).