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

C13H18N4O3 — CID 66208520

IUPAC6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCCC1C2CNCC2CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H18N4O3/c1-2-10-8-5-14-4-7(8)6-17(10)12(19)9-3-11(18)16-13(20)15-9/h3,7-8,10,14H,2,4-6H2,1H3,(H2,15,16,18,20)
InChIKeyQJFHZGHXONIRSF-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.87
Rot. Bonds2

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

6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 66208520) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID66208520
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCCC1C2CNCC2CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H18N4O3/c1-2-10-8-5-14-4-7(8)6-17(10)12(19)9-3-11(18)16-13(20)15-9/h3,7-8,10,14H,2,4-6H2,1H3,(H2,15,16,18,20)
InChIKeyQJFHZGHXONIRSF-UHFFFAOYSA-N
XLogP-0.87
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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-(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-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 63259377
6-[3-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 64026642
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 65829261
N-[2-(aminomethyl)cyclopentyl]-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 65849336
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 66207479

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 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) is 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione is CCC1C2CNCC2CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is QJFHZGHXONIRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-10-8-5-14-4-7(8)6-17(10)12(19)9-3-11(18)16-13(20)15-9/h3,7-8,10,14H,2,4-6H2,1H3,(H2,15,16,18,20).
What are the key properties of 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione?
6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66208520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).