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

C12H16N4O3 — CID 43595501

IUPAC6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1CC2CNCC2N1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H16N4O3/c1-6-2-7-4-13-5-9(7)16(6)11(18)8-3-10(17)15-12(19)14-8/h3,6-7,9,13H,2,4-5H2,1H3,(H2,14,15,17,19)
InChIKeyKPAWWUGJJKARGS-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.11
Rot. Bonds1

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

6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 43595501) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID43595501
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1CC2CNCC2N1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H16N4O3/c1-6-2-7-4-13-5-9(7)16(6)11(18)8-3-10(17)15-12(19)14-8/h3,6-7,9,13H,2,4-5H2,1H3,(H2,14,15,17,19)
InChIKeyKPAWWUGJJKARGS-UHFFFAOYSA-N
XLogP-1.11
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(2-methyl-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

6-{[(1R*,6S*)-9-methyl-3,9-diazabicyclo[4.2.1]non-3-yl]carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 56714088
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
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-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 60915525
6-amino-1-ethyl-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrimidine-2,4-dione
CID 60964449
6-amino-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1-methylpyrimidine-2,4-dione
CID 60964450
6-amino-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1-propylpyrimidine-2,4-dione
CID 60966478
6-(3-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 60979497
6-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 61515668
6-(2-pyrrolidin-2-ylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 62274577

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-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-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 43595501) is 6-(2-methyl-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-(2-methyl-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-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione is CC1CC2CNCC2N1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is KPAWWUGJJKARGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-6-2-7-4-13-5-9(7)16(6)11(18)8-3-10(17)15-12(19)14-8/h3,6-7,9,13H,2,4-5H2,1H3,(H2,14,15,17,19).
What are the key properties of 6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione?
6-(2-methyl-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 264.28 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-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 43595501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).