[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol

C12H12FN3O3 — CID 146290878

IUPAC[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol
SMILESCOc1ncnc(Oc2ccc(F)c(CO)c2)c1N
InChIInChI=1S/C12H12FN3O3/c1-18-11-10(14)12(16-6-15-11)19-8-2-3-9(13)7(4-8)5-17/h2-4,6,17H,5,14H2,1H3
InChIKeyDPKXHYLTJOWWHI-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.49
Rot. Bonds4

About [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol

[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol (PubChem CID 146290878) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol
PubChem CID146290878
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol
SMILESCOc1ncnc(Oc2ccc(F)c(CO)c2)c1N
InChIInChI=1S/C12H12FN3O3/c1-18-11-10(14)12(16-6-15-11)19-8-2-3-9(13)7(4-8)5-17/h2-4,6,17H,5,14H2,1H3
InChIKeyDPKXHYLTJOWWHI-UHFFFAOYSA-N
XLogP1.49
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693
4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 60726327
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-phenoxypyrimidin-5-amine
CID 11360535
4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine
CID 107655439
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342
4-(2,4-dimethylphenoxy)-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 11246357
2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141235
tert-butyl 5-(5-amino-6-methoxypyrimidin-4-yl)oxy-1,3-dihydroisoindole-2-carboxylate
CID 146290935

Frequently Asked Questions

What is the IUPAC name of [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol?
The IUPAC name of [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol (CID 146290878) is [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol.
What is the SMILES notation for [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol?
The canonical SMILES for [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol is COc1ncnc(Oc2ccc(F)c(CO)c2)c1N.
What is the InChIKey of [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol?
The InChIKey is DPKXHYLTJOWWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-18-11-10(14)12(16-6-15-11)19-8-2-3-9(13)7(4-8)5-17/h2-4,6,17H,5,14H2,1H3.
What are the key properties of [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol?
[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol has a molecular weight of 265.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol is sourced from PubChem (CID 146290878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).