3-pyrimidin-2-ylpentan-2-ol

C9H14N2O — CID 63201326

IUPAC3-pyrimidin-2-ylpentan-2-ol
SMILESCCC(c1ncccn1)C(C)O
InChIInChI=1S/C9H14N2O/c1-3-8(7(2)12)9-10-5-4-6-11-9/h4-8,12H,3H2,1-2H3
InChIKeyJQYLVACAMGYORC-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.35
Rot. Bonds3

About 3-pyrimidin-2-ylpentan-2-ol

3-pyrimidin-2-ylpentan-2-ol (PubChem CID 63201326) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-pyrimidin-2-ylpentan-2-ol.

Molecular Properties

Compound Name3-pyrimidin-2-ylpentan-2-ol
PubChem CID63201326
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-pyrimidin-2-ylpentan-2-ol
SMILESCCC(c1ncccn1)C(C)O
InChIInChI=1S/C9H14N2O/c1-3-8(7(2)12)9-10-5-4-6-11-9/h4-8,12H,3H2,1-2H3
InChIKeyJQYLVACAMGYORC-UHFFFAOYSA-N
XLogP1.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-ylpentan-2-ol?
The IUPAC name of 3-pyrimidin-2-ylpentan-2-ol (CID 63201326) is 3-pyrimidin-2-ylpentan-2-ol.
What is the SMILES notation for 3-pyrimidin-2-ylpentan-2-ol?
The canonical SMILES for 3-pyrimidin-2-ylpentan-2-ol is CCC(c1ncccn1)C(C)O.
What is the InChIKey of 3-pyrimidin-2-ylpentan-2-ol?
The InChIKey is JQYLVACAMGYORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-8(7(2)12)9-10-5-4-6-11-9/h4-8,12H,3H2,1-2H3.
What are the key properties of 3-pyrimidin-2-ylpentan-2-ol?
3-pyrimidin-2-ylpentan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-ylpentan-2-ol is sourced from PubChem (CID 63201326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).