(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol

C11H16N2O2 — CID 159874601

IUPAC(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol
SMILESCC[C@H]1C[C@@H](Oc2ccncn2)C[C@@H]1O
InChIInChI=1S/C11H16N2O2/c1-2-8-5-9(6-10(8)14)15-11-3-4-12-7-13-11/h3-4,7-10,14H,2,5-6H2,1H3/t8-,9+,10-/m0/s1
InChIKeyVLNUCJMXSBFVMJ-AEJSXWLSSA-N
MW208.26 g/mol
LogP1.40
Rot. Bonds3

About (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol

(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol (PubChem CID 159874601) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol
PubChem CID159874601
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol
SMILESCC[C@H]1C[C@@H](Oc2ccncn2)C[C@@H]1O
InChIInChI=1S/C11H16N2O2/c1-2-8-5-9(6-10(8)14)15-11-3-4-12-7-13-11/h3-4,7-10,14H,2,5-6H2,1H3/t8-,9+,10-/m0/s1
InChIKeyVLNUCJMXSBFVMJ-AEJSXWLSSA-N
XLogP1.40
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol (CID 159874601) is (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol is CC[C@H]1C[C@@H](Oc2ccncn2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol?
The InChIKey is VLNUCJMXSBFVMJ-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-8-5-9(6-10(8)14)15-11-3-4-12-7-13-11/h3-4,7-10,14H,2,5-6H2,1H3/t8-,9+,10-/m0/s1.
What are the key properties of (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol?
(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol is sourced from PubChem (CID 159874601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).