2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine

C15H20ClN5O — CID 142067507

IUPAC2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine
SMILESC[C@@H]1CCC(n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)C1
InChIInChI=1S/C15H20ClN5O/c1-9-2-3-11(6-9)21-8-17-12-13(18-10-4-5-22-7-10)19-15(16)20-14(12)21/h8-11H,2-7H2,1H3,(H,18,19,20)/t9-,10-,11?/m1/s1
InChIKeyNEAXFLSKZRVMIW-DIOIDXFWSA-N
MW321.81 g/mol
LogP3.04
Rot. Bonds3

About 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine

2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine (PubChem CID 142067507) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine
PubChem CID142067507
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine
SMILESC[C@@H]1CCC(n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)C1
InChIInChI=1S/C15H20ClN5O/c1-9-2-3-11(6-9)21-8-17-12-13(18-10-4-5-22-7-10)19-15(16)20-14(12)21/h8-11H,2-7H2,1H3,(H,18,19,20)/t9-,10-,11?/m1/s1
InChIKeyNEAXFLSKZRVMIW-DIOIDXFWSA-N
XLogP3.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3aR,4R,6R,6aR)-4-[2-chloro-6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 20592053
1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
(2R,3R,4S,5R)-2-[2-chloro-6-(cyclohexylamino)purin-9-yl]-5-methyloxolane-3,4-diol
CID 123459767
[[(2R,3R,4S,5R)-5-[2-chloro-6-[[(3S)-oxolan-3-yl]amino]purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 130206140
[(2R,3S,4R,5R)-5-[2-chloro-6-[[(3S)-3-methylcyclopentyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
CID 158104359
[[2-[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(3S)-oxolan-3-yl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethyl]-(ethoxycarbonyloxymethoxy)phosphoryl]oxymethyl ethyl carbonate
CID 146415930
2-chloro-N-cyclopentyl-9-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]purin-6-amine
CID 130438293
(2S,3R,4S,5R)-2-[2-chloro-6-(cyclohexylamino)purin-9-yl]-5-methylthiolane-3,4-diol
CID 46238303
[[2-[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(3S)-oxolan-3-yl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-2-oxoethoxy]-hydroxyphosphoryl]oxymethyl ethyl carbonate
CID 168863843
(2S,3S,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 6604903
2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 1547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine?
The IUPAC name of 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine (CID 142067507) is 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine.
What is the SMILES notation for 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine?
The canonical SMILES for 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine is C[C@@H]1CCC(n2cnc3c(N[C@@H]4CCOC4)nc(Cl)nc32)C1.
What is the InChIKey of 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine?
The InChIKey is NEAXFLSKZRVMIW-DIOIDXFWSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-9-2-3-11(6-9)21-8-17-12-13(18-10-4-5-22-7-10)19-15(16)20-14(12)21/h8-11H,2-7H2,1H3,(H,18,19,20)/t9-,10-,11?/m1/s1.
What are the key properties of 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine?
2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine has a molecular weight of 321.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine is sourced from PubChem (CID 142067507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).