2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C18H24N6O2 — CID 56913128

IUPAC2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESC1CCC(c2nc3c(c(NCc4noc(C5CCCO5)n4)n2)CNC3)C1
InChIInChI=1S/C18H24N6O2/c1-2-5-11(4-1)16-21-13-9-19-8-12(13)17(23-16)20-10-15-22-18(26-24-15)14-6-3-7-25-14/h11,14,19H,1-10H2,(H,20,21,23)
InChIKeyHOJFQAZMBPZXHO-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.58
Rot. Bonds5

About 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56913128) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56913128
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESC1CCC(c2nc3c(c(NCc4noc(C5CCCO5)n4)n2)CNC3)C1
InChIInChI=1S/C18H24N6O2/c1-2-5-11(4-1)16-21-13-9-19-8-12(13)17(23-16)20-10-15-22-18(26-24-15)14-6-3-7-25-14/h11,14,19H,1-10H2,(H,20,21,23)
InChIKeyHOJFQAZMBPZXHO-UHFFFAOYSA-N
XLogP2.58
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine 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

5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014845
2-cyclopentyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56886243
N'-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56885388
2-cyclopentyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56913668
3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 131043141
5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
CID 130611413
4-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72940735
2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56883272
2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105493384
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
2-cycloheptyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741398

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56913128) is 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is C1CCC(c2nc3c(c(NCc4noc(C5CCCO5)n4)n2)CNC3)C1.
What is the InChIKey of 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HOJFQAZMBPZXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-2-5-11(4-1)16-21-13-9-19-8-12(13)17(23-16)20-10-15-22-18(26-24-15)14-6-3-7-25-14/h11,14,19H,1-10H2,(H,20,21,23).
What are the key properties of 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56913128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).