[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol

C13H14N2O2 — CID 113387908

IUPAC[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol
SMILESCc1ccc(Oc2ncc(CO)cn2)cc1C
InChIInChI=1S/C13H14N2O2/c1-9-3-4-12(5-10(9)2)17-13-14-6-11(8-16)7-15-13/h3-7,16H,8H2,1-2H3
InChIKeyANDIMEMHHJKFCV-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.38
Rot. Bonds3

About [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol

[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol (PubChem CID 113387908) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol
PubChem CID113387908
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol
SMILESCc1ccc(Oc2ncc(CO)cn2)cc1C
InChIInChI=1S/C13H14N2O2/c1-9-3-4-12(5-10(9)2)17-13-14-6-11(8-16)7-15-13/h3-7,16H,8H2,1-2H3
InChIKeyANDIMEMHHJKFCV-UHFFFAOYSA-N
XLogP2.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol (CID 113387908) is [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol is Cc1ccc(Oc2ncc(CO)cn2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol?
The InChIKey is ANDIMEMHHJKFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-4-12(5-10(9)2)17-13-14-6-11(8-16)7-15-13/h3-7,16H,8H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol?
[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol has a molecular weight of 230.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol is sourced from PubChem (CID 113387908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).