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

C11H14N4O3 — CID 43594534

IUPAC5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C11H14N4O3/c16-9-7(4-13-11(18)14-9)10(17)15-2-1-6-3-12-5-8(6)15/h4,6,8,12H,1-3,5H2,(H2,13,14,16,18)/t6-,8+/m0/s1
InChIKeyVIJAIQBXFKBGHM-POYBYMJQSA-N
MW250.26 g/mol
LogP-1.50
Rot. Bonds1

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

5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 43594534) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[(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 Name5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID43594534
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N1CC[C@H]2CNC[C@H]21
InChIInChI=1S/C11H14N4O3/c16-9-7(4-13-11(18)14-9)10(17)15-2-1-6-3-12-5-8(6)15/h4,6,8,12H,1-3,5H2,(H2,13,14,16,18)/t6-,8+/m0/s1
InChIKeyVIJAIQBXFKBGHM-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 5-[(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

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
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
5-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595358
5-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43752115
2,4-dioxo-N-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 55084817
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 62067817
5-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 62275421
5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
CID 66208333
5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
CID 66209956
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
CID 66213162
5-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
CID 66241907
N-{(3S*,4R*)-1-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]-4-propylpyrrolidin-3-yl}acetamide
CID 72895504

Frequently Asked Questions

What is the IUPAC name of 5-[(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 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) is 5-[(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 5-[(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 5-[(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(c1c[nH]c(=O)[nH]c1=O)N1CC[C@H]2CNC[C@H]21.
What is the InChIKey of 5-[(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 VIJAIQBXFKBGHM-POYBYMJQSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-9-7(4-13-11(18)14-9)10(17)15-2-1-6-3-12-5-8(6)15/h4,6,8,12H,1-3,5H2,(H2,13,14,16,18)/t6-,8+/m0/s1.
What are the key properties of 5-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[(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 5-[(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 43594534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).