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

C13H18N4O3 — CID 66208333

IUPAC5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O3/c1-2-10-8-4-14-3-7(8)6-17(10)12(19)9-5-15-13(20)16-11(9)18/h5,7-8,10,14H,2-4,6H2,1H3,(H2,15,16,18,20)
InChIKeyVSWIOYXUMPPVKD-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.87
Rot. Bonds2

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

5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 66208333) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(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 Name5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID66208333
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCCC1C2CNCC2CN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O3/c1-2-10-8-4-14-3-7(8)6-17(10)12(19)9-5-15-13(20)16-11(9)18/h5,7-8,10,14H,2-4,6H2,1H3,(H2,15,16,18,20)
InChIKeyVSWIOYXUMPPVKD-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 5-(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

Frequently Asked Questions

What is the IUPAC name of 5-(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 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) is 5-(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 5-(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 5-(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)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(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 VSWIOYXUMPPVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-10-8-4-14-3-7(8)6-17(10)12(19)9-5-15-13(20)16-11(9)18/h5,7-8,10,14H,2-4,6H2,1H3,(H2,15,16,18,20).
What are the key properties of 5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)-1H-pyrimidine-2,4-dione?
5-(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 5-(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 66208333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).