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

C13H14N2O2 — CID 107373077

IUPAC[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
SMILESCc1cc(C)cc(Oc2cnc(CO)cn2)c1
InChIInChI=1S/C13H14N2O2/c1-9-3-10(2)5-12(4-9)17-13-7-14-11(8-16)6-15-13/h3-7,16H,8H2,1-2H3
InChIKeyNRQFMFGIJMLHFK-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.38
Rot. Bonds3

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

[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol (PubChem CID 107373077) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
PubChem CID107373077
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol
SMILESCc1cc(C)cc(Oc2cnc(CO)cn2)c1
InChIInChI=1S/C13H14N2O2/c1-9-3-10(2)5-12(4-9)17-13-7-14-11(8-16)6-15-13/h3-7,16H,8H2,1-2H3
InChIKeyNRQFMFGIJMLHFK-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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Related Compounds

N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381797
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
[5-(4-iodophenoxy)pyrazin-2-yl]methanol
CID 107373099
[5-(4-bromophenoxy)pyrazin-2-yl]methanol
CID 107373072
(5-naphthalen-2-yloxypyrazin-2-yl)methanol
CID 107373089
[5-(2-chloro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373102
[5-(3-chlorophenoxy)pyrazin-2-yl]methanol
CID 107373083
[5-(2-tert-butyl-5-methylphenoxy)pyrazin-2-yl]methanol
CID 107373044
[5-(1-ethylpyrazol-4-yl)oxypyrazin-2-yl]methanol
CID 107373241
[5-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanol
CID 107667536
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
CID 107373261
2-(chloromethyl)-5-(3-methylphenoxy)pyrazine
CID 107373703

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol?
The IUPAC name of [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol (CID 107373077) is [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol is Cc1cc(C)cc(Oc2cnc(CO)cn2)c1.
What is the InChIKey of [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol?
The InChIKey is NRQFMFGIJMLHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-10(2)5-12(4-9)17-13-7-14-11(8-16)6-15-13/h3-7,16H,8H2,1-2H3.
What are the key properties of [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol?
[5-(3,5-dimethylphenoxy)pyrazin-2-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 [5-(3,5-dimethylphenoxy)pyrazin-2-yl]methanol is sourced from PubChem (CID 107373077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).