[3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol

C13H14N2O — CID 71028488

IUPAC[3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol
SMILESCc1cnc(-c2cccc(CO)c2)nc1C
InChIInChI=1S/C13H14N2O/c1-9-7-14-13(15-10(9)2)12-5-3-4-11(6-12)8-16/h3-7,16H,8H2,1-2H3
InChIKeySMWIGKXPYCWBJP-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.25
Rot. Bonds2

About [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol

[3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol (PubChem CID 71028488) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol
PubChem CID71028488
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name[3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol
SMILESCc1cnc(-c2cccc(CO)c2)nc1C
InChIInChI=1S/C13H14N2O/c1-9-7-14-13(15-10(9)2)12-5-3-4-11(6-12)8-16/h3-7,16H,8H2,1-2H3
InChIKeySMWIGKXPYCWBJP-UHFFFAOYSA-N
XLogP2.25
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol?
The IUPAC name of [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol (CID 71028488) is [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol.
What is the SMILES notation for [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol?
The canonical SMILES for [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol is Cc1cnc(-c2cccc(CO)c2)nc1C.
What is the InChIKey of [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol?
The InChIKey is SMWIGKXPYCWBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-7-14-13(15-10(9)2)12-5-3-4-11(6-12)8-16/h3-7,16H,8H2,1-2H3.
What are the key properties of [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol?
[3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol has a molecular weight of 214.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol is sourced from PubChem (CID 71028488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).