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

C10H14N4O — CID 136900916

IUPAC4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CC[C@H]3CNC[C@H]32)nc[nH]1
InChIInChI=1S/C10H14N4O/c15-10-3-9(12-6-13-10)14-2-1-7-4-11-5-8(7)14/h3,6-8,11H,1-2,4-5H2,(H,12,13,15)/t7-,8+/m0/s1
InChIKeyKNNHEYKTNHSUAX-JGVFFNPUSA-N
MW206.25 g/mol
LogP-0.43
Rot. Bonds1

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

4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1H-pyrimidin-6-one (PubChem CID 136900916) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-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]-1H-pyrimidin-6-one
PubChem CID136900916
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(N2CC[C@H]3CNC[C@H]32)nc[nH]1
InChIInChI=1S/C10H14N4O/c15-10-3-9(12-6-13-10)14-2-1-7-4-11-5-8(7)14/h3,6-8,11H,1-2,4-5H2,(H,12,13,15)/t7-,8+/m0/s1
InChIKeyKNNHEYKTNHSUAX-JGVFFNPUSA-N
XLogP-0.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.43
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]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677210
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-5-amino-1H-pyrimidin-6-one
CID 136730851
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1H-pyrimidin-6-one
CID 136730856
4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781023
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136880708
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136900917
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136900919
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136900920
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136900921
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-amino-1H-pyrimidin-6-one
CID 136900922
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
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956405

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]-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]-1H-pyrimidin-6-one (CID 136900916) is 4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-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]-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]-1H-pyrimidin-6-one is O=c1cc(N2CC[C@H]3CNC[C@H]32)nc[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]-1H-pyrimidin-6-one?
The InChIKey is KNNHEYKTNHSUAX-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14N4O/c15-10-3-9(12-6-13-10)14-2-1-7-4-11-5-8(7)14/h3,6-8,11H,1-2,4-5H2,(H,12,13,15)/t7-,8+/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]-1H-pyrimidin-6-one?
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 206.25 g/mol, XLogP of -0.43, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136900916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).