[(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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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).