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

C12H18N4O — CID 137058231

IUPAC2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN3CCC[C@H]3C2)n1
InChIInChI=1S/C12H18N4O/c1-9-7-11(17)14-12(13-9)16-6-5-15-4-2-3-10(15)8-16/h7,10H,2-6,8H2,1H3,(H,13,14,17)/t10-/m0/s1
InChIKeyBZEKDESMGNFSQR-JTQLQIEISA-N
MW234.30 g/mol
LogP0.36
Rot. Bonds1

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

2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137058231) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137058231
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN3CCC[C@H]3C2)n1
InChIInChI=1S/C12H18N4O/c1-9-7-11(17)14-12(13-9)16-6-5-15-4-2-3-10(15)8-16/h7,10H,2-6,8H2,1H3,(H,13,14,17)/t10-/m0/s1
InChIKeyBZEKDESMGNFSQR-JTQLQIEISA-N
XLogP0.36
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-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-(3-aminopiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 136666195
2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136957819
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78918766
2-[4-(2-aminoethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 136923002
2-[(2R)-1-(4-cyclopentyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136738172
6-[[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 136560083
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80836941
2-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylpyrimidin-2-yl]phenol
CID 137030213
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylbenzoic acid
CID 175538610
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 94210798

Frequently Asked Questions

What is the IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 137058231) is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN3CCC[C@H]3C2)n1.
What is the InChIKey of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BZEKDESMGNFSQR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-7-11(17)14-12(13-9)16-6-5-15-4-2-3-10(15)8-16/h7,10H,2-6,8H2,1H3,(H,13,14,17)/t10-/m0/s1.
What are the key properties of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137058231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).