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

C12H19N3O — CID 83890210

IUPAC7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cc1cc(=O)n2c(n1)CCC(N)C2
InChIInChI=1S/C12H19N3O/c1-8(2)5-10-6-12(16)15-7-9(13)3-4-11(15)14-10/h6,8-9H,3-5,7,13H2,1-2H3
InChIKeyLCVZPIDTCSPJJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.72
Rot. Bonds2

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

7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83890210) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83890210
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cc1cc(=O)n2c(n1)CCC(N)C2
InChIInChI=1S/C12H19N3O/c1-8(2)5-10-6-12(16)15-7-9(13)3-4-11(15)14-10/h6,8-9H,3-5,7,13H2,1-2H3
InChIKeyLCVZPIDTCSPJJZ-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

2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
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
N,N-diallyl-2-[3-(6-hydroxy-2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 135988320
2-isopropyl-6-[(3-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046575
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 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83890210) is 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC(C)Cc1cc(=O)n2c(n1)CCC(N)C2.
What is the InChIKey of 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LCVZPIDTCSPJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)5-10-6-12(16)15-7-9(13)3-4-11(15)14-10/h6,8-9H,3-5,7,13H2,1-2H3.
What are the key properties of 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
7-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 7-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83890210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).