6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione

C11H14N4O3 — CID 43594686

IUPAC6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C11H14N4O3/c16-9-3-7(13-11(18)14-9)10(17)15-2-1-6-4-12-5-8(6)15/h3,6,8,12H,1-2,4-5H2,(H2,13,14,16,18)/t6-,8+/m0/s1
InChIKeySMUISULIFOXTCS-POYBYMJQSA-N
MW250.26 g/mol
LogP-1.50
Rot. Bonds1

About 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 43594686) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID43594686
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C11H14N4O3/c16-9-3-7(13-11(18)14-9)10(17)15-2-1-6-4-12-5-8(6)15/h3,6,8,12H,1-2,4-5H2,(H2,13,14,16,18)/t6-,8+/m0/s1
InChIKeySMUISULIFOXTCS-POYBYMJQSA-N
XLogP-1.50
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43594534
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 43594545
4-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 43595369
6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595501
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 60915525
6-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 61515668
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 62062323
6-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 62274577
6-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 63264440
2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide
CID 63622496
1,3-dimethyl-6-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]pyrimidine-2,4-dione
CID 66207677
6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
CID 66208520

Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 43594686) is 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CC[C@H]2CNC[C@H]21.
What is the InChIKey of 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is SMUISULIFOXTCS-POYBYMJQSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-9-3-7(13-11(18)14-9)10(17)15-2-1-6-4-12-5-8(6)15/h3,6,8,12H,1-2,4-5H2,(H2,13,14,16,18)/t6-,8+/m0/s1.
What are the key properties of 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 250.26 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 43594686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).