2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one

C14H27N3O — CID 176979246

IUPAC2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCC1NC2C(=O)N(C(C)C)CC2C(C(C)C)N1
InChIInChI=1S/C14H27N3O/c1-6-11-15-12(8(2)3)10-7-17(9(4)5)14(18)13(10)16-11/h8-13,15-16H,6-7H2,1-5H3
InChIKeySUSHXKSOMGYCAQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.18
Rot. Bonds3

About 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one

2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 176979246) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID176979246
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCC1NC2C(=O)N(C(C)C)CC2C(C(C)C)N1
InChIInChI=1S/C14H27N3O/c1-6-11-15-12(8(2)3)10-7-17(9(4)5)14(18)13(10)16-11/h8-13,15-16H,6-7H2,1-5H3
InChIKeySUSHXKSOMGYCAQ-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one 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

1,3-di(propan-2-yl)azetidin-2-one
CID 166023384
3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one
CID 165157963
1,3,4-tri(propan-2-yl)pyrrolidin-2-one
CID 58977323
5-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 45096024
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
5-ethyl-3-(2-methylcyclopropyl)-2-propan-2-ylimidazolidin-4-one
CID 83254497
1,4-di(propan-2-yl)piperidin-2-one
CID 59815013
5-fluoro-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-2-one
CID 171846402
4-but-2-ynyl-1-propan-2-ylimidazolidin-2-one
CID 176750404

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one (CID 176979246) is 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one is CCC1NC2C(=O)N(C(C)C)CC2C(C(C)C)N1.
What is the InChIKey of 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is SUSHXKSOMGYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-11-15-12(8(2)3)10-7-17(9(4)5)14(18)13(10)16-11/h8-13,15-16H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one?
2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 253.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-di(propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 176979246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).