4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one

C11H16N4O — CID 136900923

IUPAC4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC[C@H]3CNC[C@H]32)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O/c1-7-13-10(4-11(16)14-7)15-3-2-8-5-12-6-9(8)15/h4,8-9,12H,2-3,5-6H2,1H3,(H,13,14,16)/t8-,9+/m0/s1
InChIKeyAWXFSNCBIYEVHF-DTWKUNHWSA-N
MW220.28 g/mol
LogP-0.12
Rot. Bonds1

About 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136900923) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136900923
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CC[C@H]3CNC[C@H]32)cc(=O)[nH]1
InChIInChI=1S/C11H16N4O/c1-7-13-10(4-11(16)14-7)15-3-2-8-5-12-6-9(8)15/h4,8-9,12H,2-3,5-6H2,1H3,(H,13,14,16)/t8-,9+/m0/s1
InChIKeyAWXFSNCBIYEVHF-DTWKUNHWSA-N
XLogP-0.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-pyrrolidin-1-yl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136345035
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136677203
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-ethyl-1H-pyrimidin-6-one
CID 136730849
4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136730850
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methyl-1H-pyrimidin-6-one
CID 136730854
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730857
2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731503
2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731509
2-cyclopropyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780966

Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136900923) is 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CC[C@H]3CNC[C@H]32)cc(=O)[nH]1.
What is the InChIKey of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is AWXFSNCBIYEVHF-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-13-10(4-11(16)14-7)15-3-2-8-5-12-6-9(8)15/h4,8-9,12H,2-3,5-6H2,1H3,(H,13,14,16)/t8-,9+/m0/s1.
What are the key properties of 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 220.28 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136900923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).