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

C12H20N2O2 — CID 161149630

IUPAC(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane
SMILESC.CC[C@H]1C[C@@H](Oc2ccncn2)C[C@@H]1O
InChIInChI=1S/C11H16N2O2.CH4/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;1H4/t8-,9+,10-;/m0./s1
InChIKeyUOMUQUXDCLQJAA-JYNKJOSWSA-N
MW224.30 g/mol
LogP2.04
Rot. Bonds3

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

(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane (PubChem CID 161149630) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane.

Molecular Properties

Compound Name(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane
PubChem CID161149630
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane
SMILESC.CC[C@H]1C[C@@H](Oc2ccncn2)C[C@@H]1O
InChIInChI=1S/C11H16N2O2.CH4/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;1H4/t8-,9+,10-;/m0./s1
InChIKeyUOMUQUXDCLQJAA-JYNKJOSWSA-N
XLogP2.04
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.04
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;methane?
The IUPAC name of (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane (CID 161149630) is (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane.
What is the SMILES notation for (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane?
The canonical SMILES for (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane is C.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;methane?
The InChIKey is UOMUQUXDCLQJAA-JYNKJOSWSA-N. The full InChI is InChI=1S/C11H16N2O2.CH4/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;1H4/t8-,9+,10-;/m0./s1.
What are the key properties of (1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane?
(1S,2S,4R)-2-ethyl-4-pyrimidin-4-yloxycyclopentan-1-ol;methane has a molecular weight of 224.30 g/mol, XLogP of 2.04, 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;methane is sourced from PubChem (CID 161149630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).