2-cyclopentylpyrimidin-5-ol

C9H12N2O — CID 20542594

IUPAC2-cyclopentylpyrimidin-5-ol
SMILESOc1cnc(C2CCCC2)nc1
InChIInChI=1S/C9H12N2O/c12-8-5-10-9(11-6-8)7-3-1-2-4-7/h5-7,12H,1-4H2
InChIKeyOPKWIMIHZUDWBL-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.84
Rot. Bonds1

About 2-cyclopentylpyrimidin-5-ol

2-cyclopentylpyrimidin-5-ol (PubChem CID 20542594) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-cyclopentylpyrimidin-5-ol.

Molecular Properties

Compound Name2-cyclopentylpyrimidin-5-ol
PubChem CID20542594
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-cyclopentylpyrimidin-5-ol
SMILESOc1cnc(C2CCCC2)nc1
InChIInChI=1S/C9H12N2O/c12-8-5-10-9(11-6-8)7-3-1-2-4-7/h5-7,12H,1-4H2
InChIKeyOPKWIMIHZUDWBL-UHFFFAOYSA-N
XLogP1.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylpyrimidin-5-ol?
The IUPAC name of 2-cyclopentylpyrimidin-5-ol (CID 20542594) is 2-cyclopentylpyrimidin-5-ol.
What is the SMILES notation for 2-cyclopentylpyrimidin-5-ol?
The canonical SMILES for 2-cyclopentylpyrimidin-5-ol is Oc1cnc(C2CCCC2)nc1.
What is the InChIKey of 2-cyclopentylpyrimidin-5-ol?
The InChIKey is OPKWIMIHZUDWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-8-5-10-9(11-6-8)7-3-1-2-4-7/h5-7,12H,1-4H2.
What are the key properties of 2-cyclopentylpyrimidin-5-ol?
2-cyclopentylpyrimidin-5-ol has a molecular weight of 164.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpyrimidin-5-ol is sourced from PubChem (CID 20542594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).