2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C11H14N4O2 — CID 137015695

IUPAC2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(c3cc(=O)[nH]cn3)CCN12
InChIInChI=1S/C11H14N4O2/c16-10-5-9(12-7-13-10)14-3-4-15-8(6-14)1-2-11(15)17/h5,7-8H,1-4,6H2,(H,12,13,16)
InChIKeyMCLCRQOKMZQKCN-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.42
Rot. Bonds1

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

2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 137015695) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID137015695
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(c3cc(=O)[nH]cn3)CCN12
InChIInChI=1S/C11H14N4O2/c16-10-5-9(12-7-13-10)14-3-4-15-8(6-14)1-2-11(15)17/h5,7-8H,1-4,6H2,(H,12,13,16)
InChIKeyMCLCRQOKMZQKCN-UHFFFAOYSA-N
XLogP-0.42
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N,N-dimethyl-2-[[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-(prop-2-enylamino)methylidene]amino]acetamide
CID 120340057
3-[(5-Oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162707
6-Chloro-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130517274
1-(6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687981
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one
CID 136956466
4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956540
2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956638
4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956640
2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956745
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956747
2-methyl-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956820
4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956822

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 137015695) is 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(c3cc(=O)[nH]cn3)CCN12.
What is the InChIKey of 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is MCLCRQOKMZQKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-10-5-9(12-7-13-10)14-3-4-15-8(6-14)1-2-11(15)17/h5,7-8H,1-4,6H2,(H,12,13,16).
What are the key properties of 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 234.26 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 137015695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).