(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol

C11H13ClN4O2 — CID 87802918

IUPAC(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOCC1C[C@@H](n2cnc3c(Cl)ncnc32)CC1O
InChIInChI=1S/C11H13ClN4O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)8(18)2-7/h4-8,17-18H,1-3H2/t6?,7-,8?/m1/s1
InChIKeyRCVKWKSJDHGISQ-ZUEIMRROSA-N
MW268.70 g/mol
LogP0.78
Rot. Bonds2

About (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol

(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 87802918) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID87802918
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOCC1C[C@@H](n2cnc3c(Cl)ncnc32)CC1O
InChIInChI=1S/C11H13ClN4O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)8(18)2-7/h4-8,17-18H,1-3H2/t6?,7-,8?/m1/s1
InChIKeyRCVKWKSJDHGISQ-ZUEIMRROSA-N
XLogP0.78
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol with MolForge

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Related Compounds

[3-(6-chloropurin-9-yl)cyclobutyl]methanol
CID 14781912
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
CID 101423148
(1S,2R,4R)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87314860
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
CID 10468389
3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol
CID 134844933
(1S,2S,4S)-4-(6-chloropurin-9-yl)-2-(diethoxyphosphorylmethoxy)cyclopentan-1-ol
CID 10835091
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
[(1S,2S,4R)-4-(6-chloropurin-9-yl)-2-ethylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 159359979
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol (CID 87802918) is (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol is OCC1C[C@@H](n2cnc3c(Cl)ncnc32)CC1O.
What is the InChIKey of (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is RCVKWKSJDHGISQ-ZUEIMRROSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)8(18)2-7/h4-8,17-18H,1-3H2/t6?,7-,8?/m1/s1.
What are the key properties of (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol?
(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 268.70 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 87802918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).