2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C16H25N3 — CID 114741165

IUPAC2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(C2CCC(CC)C2)nc2c1CNC2
InChIInChI=1S/C16H25N3/c1-3-5-14-13-9-17-10-15(13)19-16(18-14)12-7-6-11(4-2)8-12/h11-12,17H,3-10H2,1-2H3
InChIKeyHZDAHDDGPPAMCY-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.33
Rot. Bonds4

About 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114741165) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114741165
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCc1nc(C2CCC(CC)C2)nc2c1CNC2
InChIInChI=1S/C16H25N3/c1-3-5-14-13-9-17-10-15(13)19-16(18-14)12-7-6-11(4-2)8-12/h11-12,17H,3-10H2,1-2H3
InChIKeyHZDAHDDGPPAMCY-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine 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 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114741165) is 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCCc1nc(C2CCC(CC)C2)nc2c1CNC2.
What is the InChIKey of 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is HZDAHDDGPPAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-3-5-14-13-9-17-10-15(13)19-16(18-14)12-7-6-11(4-2)8-12/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 259.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114741165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).