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

C13H20N4O — CID 14956503

IUPAC2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(c2cc(=O)n3c(n2)CCCC3)CC1
InChIInChI=1S/C13H20N4O/c1-15-6-8-16(9-7-15)12-10-13(18)17-5-3-2-4-11(17)14-12/h10H,2-9H2,1H3
InChIKeyVBPSAEQRIHCUOW-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.33
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 14956503) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID14956503
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(c2cc(=O)n3c(n2)CCCC3)CC1
InChIInChI=1S/C13H20N4O/c1-15-6-8-16(9-7-15)12-10-13(18)17-5-3-2-4-11(17)14-12/h10H,2-9H2,1H3
InChIKeyVBPSAEQRIHCUOW-UHFFFAOYSA-N
XLogP0.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
6-Chloro-2-ethyl-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604492
4-[4-(5-aminopentyl)piperazin-1-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136972677
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-1H-pyrimidin-6-one
CID 137009827
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one
CID 137015685
2-ethyl-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 137016311

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 14956503) is 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CN1CCN(c2cc(=O)n3c(n2)CCCC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VBPSAEQRIHCUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-15-6-8-16(9-7-15)12-10-13(18)17-5-3-2-4-11(17)14-12/h10H,2-9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 14956503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).