(1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol

C10H13ClFN3O2 — CID 155663640

IUPAC(1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2cc(Cl)ncn2)[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H13ClFN3O2/c11-7-2-8(14-4-13-7)15-6-1-5(3-16)10(17)9(6)12/h2,4-6,9-10,16-17H,1,3H2,(H,13,14,15)/t5-,6-,9-,10-/m1/s1
InChIKeyYUUQENAKXLWAHZ-SXILTZBTSA-N
MW261.68 g/mol
LogP0.62
Rot. Bonds3

About (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol

(1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 155663640) has the molecular formula C10H13ClFN3O2 and a molecular weight of 261.68 g/mol. Its IUPAC name is (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
PubChem CID155663640
Molecular FormulaC10H13ClFN3O2
Molecular Weight261.68 g/mol
Exact Mass261.07
IUPAC Name(1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
SMILESOC[C@H]1C[C@@H](Nc2cc(Cl)ncn2)[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H13ClFN3O2/c11-7-2-8(14-4-13-7)15-6-1-5(3-16)10(17)9(6)12/h2,4-6,9-10,16-17H,1,3H2,(H,13,14,15)/t5-,6-,9-,10-/m1/s1
InChIKeyYUUQENAKXLWAHZ-SXILTZBTSA-N
XLogP0.62
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol (CID 155663640) is (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol is OC[C@H]1C[C@@H](Nc2cc(Cl)ncn2)[C@@H](F)[C@@H]1O.
What is the InChIKey of (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is YUUQENAKXLWAHZ-SXILTZBTSA-N. The full InChI is InChI=1S/C10H13ClFN3O2/c11-7-2-8(14-4-13-7)15-6-1-5(3-16)10(17)9(6)12/h2,4-6,9-10,16-17H,1,3H2,(H,13,14,15)/t5-,6-,9-,10-/m1/s1.
What are the key properties of (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol?
(1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 261.68 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5R)-3-[(6-chloropyrimidin-4-yl)amino]-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 155663640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).