(4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

C9H14N2O2 — CID 168985931

IUPAC(4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCCN1C(=O)C[C@@H]2CCCN2C1=O
InChIInChI=1S/C9H14N2O2/c1-2-10-8(12)6-7-4-3-5-11(7)9(10)13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyAARLIMPHZULEQQ-ZETCQYMHSA-N
MW182.22 g/mol
LogP0.82
Rot. Bonds1

About (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione

(4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (PubChem CID 168985931) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name(4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
PubChem CID168985931
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
SMILESCCN1C(=O)C[C@@H]2CCCN2C1=O
InChIInChI=1S/C9H14N2O2/c1-2-10-8(12)6-7-4-3-5-11(7)9(10)13/h7H,2-6H2,1H3/t7-/m0/s1
InChIKeyAARLIMPHZULEQQ-ZETCQYMHSA-N
XLogP0.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-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

Tetrahydropyrrolo(1,2-c)pyrimidine-1,3-dione
CID 61371349
2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione
CID 395093
6-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 168985920
(4aS)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
CID 176672485
(4aR)-5,5-difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
CID 176672516
5,5-Difluoro-2-methyl-4,4a,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-1,3-dione
CID 176672530
(4aR,6S)-6-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 177078544
2-(2,2,2-trifluoroethyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 116013131
2-octyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 9813968
2-hexyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 9856142
2-heptyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 9921290
1-Acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
CID 20589308

Frequently Asked Questions

What is the IUPAC name of (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione (CID 168985931) is (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is CCN1C(=O)C[C@@H]2CCCN2C1=O.
What is the InChIKey of (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
The InChIKey is AARLIMPHZULEQQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-10-8(12)6-7-4-3-5-11(7)9(10)13/h7H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione?
(4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione has a molecular weight of 182.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 168985931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).