1-pyrimidin-5-ylcyclopentan-1-ol

C9H12N2O — CID 14434910

IUPAC1-pyrimidin-5-ylcyclopentan-1-ol
SMILESOC1(c2cncnc2)CCCC1
InChIInChI=1S/C9H12N2O/c12-9(3-1-2-4-9)8-5-10-7-11-6-8/h5-7,12H,1-4H2
InChIKeyVKURHDBJKXPWOC-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.24
Rot. Bonds1

About 1-pyrimidin-5-ylcyclopentan-1-ol

1-pyrimidin-5-ylcyclopentan-1-ol (PubChem CID 14434910) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-pyrimidin-5-ylcyclopentan-1-ol.

Molecular Properties

Compound Name1-pyrimidin-5-ylcyclopentan-1-ol
PubChem CID14434910
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-pyrimidin-5-ylcyclopentan-1-ol
SMILESOC1(c2cncnc2)CCCC1
InChIInChI=1S/C9H12N2O/c12-9(3-1-2-4-9)8-5-10-7-11-6-8/h5-7,12H,1-4H2
InChIKeyVKURHDBJKXPWOC-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-ylcyclopentan-1-ol?
The IUPAC name of 1-pyrimidin-5-ylcyclopentan-1-ol (CID 14434910) is 1-pyrimidin-5-ylcyclopentan-1-ol.
What is the SMILES notation for 1-pyrimidin-5-ylcyclopentan-1-ol?
The canonical SMILES for 1-pyrimidin-5-ylcyclopentan-1-ol is OC1(c2cncnc2)CCCC1.
What is the InChIKey of 1-pyrimidin-5-ylcyclopentan-1-ol?
The InChIKey is VKURHDBJKXPWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9(3-1-2-4-9)8-5-10-7-11-6-8/h5-7,12H,1-4H2.
What are the key properties of 1-pyrimidin-5-ylcyclopentan-1-ol?
1-pyrimidin-5-ylcyclopentan-1-ol has a molecular weight of 164.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-ylcyclopentan-1-ol is sourced from PubChem (CID 14434910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).