[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol

C13H13FN2O2 — CID 107923081

IUPAC[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
SMILESCOc1cc(-c2nc(C)cc(CO)n2)ccc1F
InChIInChI=1S/C13H13FN2O2/c1-8-5-10(7-17)16-13(15-8)9-3-4-11(14)12(6-9)18-2/h3-6,17H,7H2,1-2H3
InChIKeyOKPBYWJURCFZHX-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.09
Rot. Bonds3

About [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol

[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol (PubChem CID 107923081) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
PubChem CID107923081
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
SMILESCOc1cc(-c2nc(C)cc(CO)n2)ccc1F
InChIInChI=1S/C13H13FN2O2/c1-8-5-10(7-17)16-13(15-8)9-3-4-11(14)12(6-9)18-2/h3-6,17H,7H2,1-2H3
InChIKeyOKPBYWJURCFZHX-UHFFFAOYSA-N
XLogP2.09
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 107923089
N-[[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 107923063
[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
CID 106819856
2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidine-4-carbaldehyde
CID 107923046
N-[[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
CID 62744975
2-(4-fluoro-3-methoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107922852
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828
5-bromo-6-ethyl-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922881
5-(aminomethyl)-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 114016280
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol (CID 107923081) is [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol is COc1cc(-c2nc(C)cc(CO)n2)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is OKPBYWJURCFZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-5-10(7-17)16-13(15-8)9-3-4-11(14)12(6-9)18-2/h3-6,17H,7H2,1-2H3.
What are the key properties of [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol?
[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 248.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 107923081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).