9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C12H19N3O — CID 83890214

IUPAC9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cc1cc(=O)n2c(n1)C(N)CCC2
InChIInChI=1S/C12H19N3O/c1-8(2)6-9-7-11(16)15-5-3-4-10(13)12(15)14-9/h7-8,10H,3-6,13H2,1-2H3
InChIKeyWPGMWTFOVJJSRE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.24
Rot. Bonds2

About 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83890214) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83890214
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cc1cc(=O)n2c(n1)C(N)CCC2
InChIInChI=1S/C12H19N3O/c1-8(2)6-9-7-11(16)15-5-3-4-10(13)12(15)14-9/h7-8,10H,3-6,13H2,1-2H3
InChIKeyWPGMWTFOVJJSRE-UHFFFAOYSA-N
XLogP1.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83890214) is 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(C)Cc1cc(=O)n2c(n1)C(N)CCC2.
What is the InChIKey of 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WPGMWTFOVJJSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)6-9-7-11(16)15-5-3-4-10(13)12(15)14-9/h7-8,10H,3-6,13H2,1-2H3.
What are the key properties of 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83890214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).