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

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Related Compounds

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741126
methyl 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741585
2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742917
2-methyl-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740981
2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742191
2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65405405
N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine
CID 65405998
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706
4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine
CID 66293573
2-(2,2-dimethylcyclopropyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107924851
5-bromo-4,6-dichloro-2-(3-ethylcyclopentyl)pyrimidine
CID 66314551
4-propyl-2-(propylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741083

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).