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

C12H19N3O — CID 83890212

IUPAC8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cc1cc(=O)n2c(n1)CC(N)CC2
InChIInChI=1S/C12H19N3O/c1-8(2)5-10-7-12(16)15-4-3-9(13)6-11(15)14-10/h7-9H,3-6,13H2,1-2H3
InChIKeyJUEHYOHXNWVWSP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.72
Rot. Bonds2

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

8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83890212) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83890212
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cc1cc(=O)n2c(n1)CC(N)CC2
InChIInChI=1S/C12H19N3O/c1-8(2)5-10-7-12(16)15-4-3-9(13)6-11(15)14-10/h7-9H,3-6,13H2,1-2H3
InChIKeyJUEHYOHXNWVWSP-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136103141
2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136245581
2-methyl-4-(3-methylpiperidin-3-yl)-1H-pyrimidin-6-one;hydrochloride
CID 137014957
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 137014964
2-(2-methoxyethyl)-6-(1-methylpiperidin-4-yl)pyrimidin-4(3H)-one
CID 135860412
2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
6-{cis-3-[(1-isobutylpiperidin-4-yl)amino]cyclobutyl}pyrimidin-4(3H)-one
CID 136662065
2-tert-Butyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 13382495
2-Pentyl-9-prop-2-enyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 68148891
2-Methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740679
7-Methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054671

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83890212) is 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(C)Cc1cc(=O)n2c(n1)CC(N)CC2.
What is the InChIKey of 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JUEHYOHXNWVWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)5-10-7-12(16)15-4-3-9(13)6-11(15)14-10/h7-9H,3-6,13H2,1-2H3.
What are the key properties of 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
8-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 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83890212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).