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

C14H22N4O — CID 137009827

IUPAC4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN3CCCCC3C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-2-12-15-13(9-14(19)16-12)18-8-7-17-6-4-3-5-11(17)10-18/h9,11H,2-8,10H2,1H3,(H,15,16,19)
InChIKeyYPFNAJOEGLBJIU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.01
Rot. Bonds2

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

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137009827) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID137009827
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCN3CCCCC3C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-2-12-15-13(9-14(19)16-12)18-8-7-17-6-4-3-5-11(17)10-18/h9,11H,2-8,10H2,1H3,(H,15,16,19)
InChIKeyYPFNAJOEGLBJIU-UHFFFAOYSA-N
XLogP1.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.01
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-ethyl-1H-pyrimidin-6-one with MolForge

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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
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-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778290
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
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805292
2-ethyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805294
2-cyclopropyl-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805295

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-ethyl-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-ethyl-1H-pyrimidin-6-one (CID 137009827) is 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-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-ethyl-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-ethyl-1H-pyrimidin-6-one is CCc1nc(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-ethyl-1H-pyrimidin-6-one?
The InChIKey is YPFNAJOEGLBJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-12-15-13(9-14(19)16-12)18-8-7-17-6-4-3-5-11(17)10-18/h9,11H,2-8,10H2,1H3,(H,15,16,19).
What are the key properties of 4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.01, 2 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).