[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol

C11H10ClN5O — CID 174758303

IUPAC[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol
SMILESNc1nc(Cl)c2ncn([C@H]3C=C=C(CO)C3)c2n1
InChIInChI=1S/C11H10ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h2,5,7,18H,3-4H2,(H2,13,15,16)/t7-/m0/s1
InChIKeyOCWAHGYNEBZREF-ZETCQYMHSA-N
MW263.69 g/mol
LogP1.08
Rot. Bonds2

About [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol

[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol (PubChem CID 174758303) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol.

Molecular Properties

Compound Name[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol
PubChem CID174758303
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol
SMILESNc1nc(Cl)c2ncn([C@H]3C=C=C(CO)C3)c2n1
InChIInChI=1S/C11H10ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h2,5,7,18H,3-4H2,(H2,13,15,16)/t7-/m0/s1
InChIKeyOCWAHGYNEBZREF-ZETCQYMHSA-N
XLogP1.08
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
2-[(1R,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]ethyl acetate
CID 101026740
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265
[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl dihydrogen phosphite
CID 156694801
(2S,3S,4S,5S)-2-(2-amino-6-chloropurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 57062723
[(1R,4S)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]methyl methyl carbonate
CID 10914291
2-[(1S,4R)-4-(2-amino-6-chloropurin-9-yl)cyclopent-2-en-1-yl]propanoic acid
CID 57055659
1-[2-(2-amino-6-chloropurin-9-yl)-4-(hydroxymethyl)cyclobutyl]propan-1-ol
CID 88503264
9-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-6-chloropurin-2-amine
CID 56679930
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 [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol?
The IUPAC name of [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol (CID 174758303) is [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol.
What is the SMILES notation for [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol?
The canonical SMILES for [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol is Nc1nc(Cl)c2ncn([C@H]3C=C=C(CO)C3)c2n1.
What is the InChIKey of [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol?
The InChIKey is OCWAHGYNEBZREF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h2,5,7,18H,3-4H2,(H2,13,15,16)/t7-/m0/s1.
What are the key properties of [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol?
[(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol has a molecular weight of 263.69 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(2-amino-6-chloropurin-9-yl)cyclopenta-1,2-dien-1-yl]methanol is sourced from PubChem (CID 174758303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).