(1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol

C10H13ClN2O3 — CID 86686872

IUPAC(1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1C[C@@H](Oc2cc(Cl)ncn2)C[C@@H]1O
InChIInChI=1S/C10H13ClN2O3/c11-9-3-10(13-5-12-9)16-7-1-6(4-14)8(15)2-7/h3,5-8,14-15H,1-2,4H2/t6-,7+,8-/m0/s1
InChIKeyOFTWTURPWNKICZ-RNJXMRFFSA-N
MW244.68 g/mol
LogP0.64
Rot. Bonds3

About (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol

(1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 86686872) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID86686872
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name(1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@@H]1C[C@@H](Oc2cc(Cl)ncn2)C[C@@H]1O
InChIInChI=1S/C10H13ClN2O3/c11-9-3-10(13-5-12-9)16-7-1-6(4-14)8(15)2-7/h3,5-8,14-15H,1-2,4H2/t6-,7+,8-/m0/s1
InChIKeyOFTWTURPWNKICZ-RNJXMRFFSA-N
XLogP0.64
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol (CID 86686872) is (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol is OC[C@@H]1C[C@@H](Oc2cc(Cl)ncn2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is OFTWTURPWNKICZ-RNJXMRFFSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c11-9-3-10(13-5-12-9)16-7-1-6(4-14)8(15)2-7/h3,5-8,14-15H,1-2,4H2/t6-,7+,8-/m0/s1.
What are the key properties of (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol?
(1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 244.68 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-(6-chloropyrimidin-4-yl)oxy-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 86686872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).