N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine

C19H23N5O3 — CID 91361805

IUPACN-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine
SMILESC#CC1OCC2(n3cnc4c(NC5CCCC5)ncnc43)OC(C)(C)OC12
InChIInChI=1S/C19H23N5O3/c1-4-13-15-19(9-25-13,27-18(2,3)26-15)24-11-22-14-16(20-10-21-17(14)24)23-12-7-5-6-8-12/h1,10-13,15H,5-9H2,2-3H3,(H,20,21,23)
InChIKeyYUTXSQAXYHWAOQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.02
Rot. Bonds3

About N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine

N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine (PubChem CID 91361805) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine
PubChem CID91361805
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine
SMILESC#CC1OCC2(n3cnc4c(NC5CCCC5)ncnc43)OC(C)(C)OC12
InChIInChI=1S/C19H23N5O3/c1-4-13-15-19(9-25-13,27-18(2,3)26-15)24-11-22-14-16(20-10-21-17(14)24)23-12-7-5-6-8-12/h1,10-13,15H,5-9H2,2-3H3,(H,20,21,23)
InChIKeyYUTXSQAXYHWAOQ-UHFFFAOYSA-N
XLogP2.02
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

9-[(4R,6R,6aR)-2,2-dimethyl-6-prop-2-ynyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 87847099
9-[(4R,6R,6aS)-2,2-dimethyl-6-prop-2-ynyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 58618548
9-[(4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 173172283
(2R,3R,4S)-2-[6-(cyclobutylamino)purin-9-yl]-5-ethynyloxolane-3,4-diol
CID 87846596
9-[(3aS,4R,6R,6aR)-6-ethynyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-(3-methoxycyclopentyl)purin-6-amine
CID 87847019
9-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 69468681
2-[6-(cyclopentylamino)purin-9-yl]-5-ethyloxolane-3,4-diol
CID 76777733
9-[(3aR,4R,6R,6aR)-4-methyl-2-phenyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]-N-cyclopentylpurin-6-amine
CID 11092634
N-cyclopentyl-9-[6-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethynyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
CID 22219407
2-[3-[[(3aS,6R,6aR)-3a-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methylamino]propyl]isoindole-1,3-dione
CID 163740029
(3R,4R,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 46876783
(2R,3R,4S,5R)-4-amino-2-[6-(cyclopentylamino)purin-9-yl]-5-methyloxolan-3-ol
CID 175676425

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine?
The IUPAC name of N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine (CID 91361805) is N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine.
What is the SMILES notation for N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine?
The canonical SMILES for N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine is C#CC1OCC2(n3cnc4c(NC5CCCC5)ncnc43)OC(C)(C)OC12.
What is the InChIKey of N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine?
The InChIKey is YUTXSQAXYHWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-13-15-19(9-25-13,27-18(2,3)26-15)24-11-22-14-16(20-10-21-17(14)24)23-12-7-5-6-8-12/h1,10-13,15H,5-9H2,2-3H3,(H,20,21,23).
What are the key properties of N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine?
N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine has a molecular weight of 369.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9-(6-ethynyl-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl)purin-6-amine is sourced from PubChem (CID 91361805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).