[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol

C11H14ClN5O — CID 139633326

IUPAC[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
SMILESNc1nc(Cl)c2ncn([C@@H]3CCC[C@H]3CO)c2n1
InChIInChI=1S/C11H14ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-3-1-2-6(7)4-18/h5-7,18H,1-4H2,(H2,13,15,16)/t6-,7+/m0/s1
InChIKeyHHLAGTZBDGJZAA-NKWVEPMBSA-N
MW267.72 g/mol
LogP1.40
Rot. Bonds2

About [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol

[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol (PubChem CID 139633326) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
PubChem CID139633326
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
SMILESNc1nc(Cl)c2ncn([C@@H]3CCC[C@H]3CO)c2n1
InChIInChI=1S/C11H14ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-3-1-2-6(7)4-18/h5-7,18H,1-4H2,(H2,13,15,16)/t6-,7+/m0/s1
InChIKeyHHLAGTZBDGJZAA-NKWVEPMBSA-N
XLogP1.40
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
1-[2-(2-amino-6-chloropurin-9-yl)-4-(hydroxymethyl)cyclobutyl]propan-1-ol
CID 88503264
2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 136880790
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-chloropurin-2-amine
CID 56679930
(2S,3S,4S,5S)-2-(2-amino-6-chloropurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 57062723
9-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl)-6-chloropurin-2-amine
CID 142363261
[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol
CID 174758303
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
CID 102426371
5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 20846061
(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
CID 87735053

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol?
The IUPAC name of [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol (CID 139633326) is [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol?
The canonical SMILES for [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol is Nc1nc(Cl)c2ncn([C@@H]3CCC[C@H]3CO)c2n1.
What is the InChIKey of [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol?
The InChIKey is HHLAGTZBDGJZAA-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H14ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-3-1-2-6(7)4-18/h5-7,18H,1-4H2,(H2,13,15,16)/t6-,7+/m0/s1.
What are the key properties of [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol?
[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol has a molecular weight of 267.72 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol is sourced from PubChem (CID 139633326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).