4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one

C13H20N4O — CID 137015685

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN3CCCCC3C2)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O/c1-10-14-12(8-13(18)15-10)17-7-6-16-5-3-2-4-11(16)9-17/h8,11H,2-7,9H2,1H3,(H,14,15,18)
InChIKeyRFNOHEIEANPINN-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds1

About 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 137015685) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID137015685
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCN3CCCCC3C2)cc(=O)[nH]1
InChIInChI=1S/C13H20N4O/c1-10-14-12(8-13(18)15-10)17-7-6-16-5-3-2-4-11(16)9-17/h8,11H,2-7,9H2,1H3,(H,14,15,18)
InChIKeyRFNOHEIEANPINN-UHFFFAOYSA-N
XLogP0.75
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methylpiperazin-1-yl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14956503
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557
4-amino-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136077756
2-(1-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314515
2-(aminomethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136326819
4-(2,4-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136726427
4-(2,4-dimethylpiperazin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136726433
2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778297
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136805284
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136805289
2-ethyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805294
2-methyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805299

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one (CID 137015685) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCN3CCCCC3C2)cc(=O)[nH]1.
What is the InChIKey of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is RFNOHEIEANPINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-14-12(8-13(18)15-10)17-7-6-16-5-3-2-4-11(16)9-17/h8,11H,2-7,9H2,1H3,(H,14,15,18).
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137015685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).