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

C12H16N4O2 — CID 136958052

IUPAC2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1nc(N2CCN3C(=O)CCC3C2)cc(=O)[nH]1
InChIInChI=1S/C12H16N4O2/c1-8-13-10(6-11(17)14-8)15-4-5-16-9(7-15)2-3-12(16)18/h6,9H,2-5,7H2,1H3,(H,13,14,17)
InChIKeyWIBZDUGXHBDTMY-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.11
Rot. Bonds1

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

2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 136958052) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID136958052
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1nc(N2CCN3C(=O)CCC3C2)cc(=O)[nH]1
InChIInChI=1S/C12H16N4O2/c1-8-13-10(6-11(17)14-8)15-4-5-16-9(7-15)2-3-12(16)18/h6,9H,2-5,7H2,1H3,(H,13,14,17)
InChIKeyWIBZDUGXHBDTMY-UHFFFAOYSA-N
XLogP-0.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
2-methyl-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568411
2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136568857
4-[4-(3-ethyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136568919
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687978
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687979
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687982
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687983
2-methyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956538
2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956638
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 136958052) is 2-(2-methyl-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-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Cc1nc(N2CCN3C(=O)CCC3C2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is WIBZDUGXHBDTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-13-10(6-11(17)14-8)15-4-5-16-9(7-15)2-3-12(16)18/h6,9H,2-5,7H2,1H3,(H,13,14,17).
What are the key properties of 2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 248.29 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 136958052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).