(1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol

C11H15ClN2O2 — CID 171581999

IUPAC(1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol
SMILESCCc1cnc(Cl)nc1OC1CCC[C@H]1O
InChIInChI=1S/C11H15ClN2O2/c1-2-7-6-13-11(12)14-10(7)16-9-5-3-4-8(9)15/h6,8-9,15H,2-5H2,1H3/t8-,9?/m1/s1
InChIKeyUXCBMVGBDANXPX-VEDVMXKPSA-N
MW242.71 g/mol
LogP1.98
Rot. Bonds3

About (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol

(1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol (PubChem CID 171581999) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol.

Molecular Properties

Compound Name(1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol
PubChem CID171581999
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol
SMILESCCc1cnc(Cl)nc1OC1CCC[C@H]1O
InChIInChI=1S/C11H15ClN2O2/c1-2-7-6-13-11(12)14-10(7)16-9-5-3-4-8(9)15/h6,8-9,15H,2-5H2,1H3/t8-,9?/m1/s1
InChIKeyUXCBMVGBDANXPX-VEDVMXKPSA-N
XLogP1.98
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol?
The IUPAC name of (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol (CID 171581999) is (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol.
What is the SMILES notation for (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol?
The canonical SMILES for (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol is CCc1cnc(Cl)nc1OC1CCC[C@H]1O.
What is the InChIKey of (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol?
The InChIKey is UXCBMVGBDANXPX-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-7-6-13-11(12)14-10(7)16-9-5-3-4-8(9)15/h6,8-9,15H,2-5H2,1H3/t8-,9?/m1/s1.
What are the key properties of (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol?
(1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol has a molecular weight of 242.71 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2-chloro-5-ethylpyrimidin-4-yl)oxycyclopentan-1-ol is sourced from PubChem (CID 171581999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).