2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C13H19N3O — CID 105493384

IUPAC2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCOc1nc(C2CCCC2)nc2c1CNC2
InChIInChI=1S/C13H19N3O/c1-2-17-13-10-7-14-8-11(10)15-12(16-13)9-5-3-4-6-9/h9,14H,2-8H2,1H3
InChIKeySJZYHWZIJDLAMJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds3

About 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 105493384) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID105493384
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCOc1nc(C2CCCC2)nc2c1CNC2
InChIInChI=1S/C13H19N3O/c1-2-17-13-10-7-14-8-11(10)15-12(16-13)9-5-3-4-6-9/h9,14H,2-8H2,1H3
InChIKeySJZYHWZIJDLAMJ-UHFFFAOYSA-N
XLogP2.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105474416
2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105474414
4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115040233
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
2-cycloheptyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741398
2-cyclopropyl-4-ethoxy-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 11651708
4-N-butyl-2-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
CID 82458490
2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105491818
N-cyclopentyl-4-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 105494802
2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741250
4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115043384
2-cyclopentyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 95725118

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 105493384) is 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCOc1nc(C2CCCC2)nc2c1CNC2.
What is the InChIKey of 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is SJZYHWZIJDLAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-17-13-10-7-14-8-11(10)15-12(16-13)9-5-3-4-6-9/h9,14H,2-8H2,1H3.
What are the key properties of 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 233.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 105493384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).