[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol

C12H13N3O2S — CID 80879243

IUPAC[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCSc1nc(N)cc(Oc2ccccc2CO)n1
InChIInChI=1S/C12H13N3O2S/c1-18-12-14-10(13)6-11(15-12)17-9-5-3-2-4-8(9)7-16/h2-6,16H,7H2,1H3,(H2,13,14,15)
InChIKeyJFUSNNARXYKINR-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.07
Rot. Bonds4

About [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol

[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 80879243) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
PubChem CID80879243
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCSc1nc(N)cc(Oc2ccccc2CO)n1
InChIInChI=1S/C12H13N3O2S/c1-18-12-14-10(13)6-11(15-12)17-9-5-3-2-4-8(9)7-16/h2-6,16H,7H2,1H3,(H2,13,14,15)
InChIKeyJFUSNNARXYKINR-UHFFFAOYSA-N
XLogP2.07
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80875016
2-methylsulfanyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80869548
[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872360
[6-(2-ethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80916805
[2-[(4-amino-2-pyridinyl)oxy]phenyl]methanol
CID 63653249
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
[2-[(5-amino-4-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 79175989
6-(4-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80862473
[2-(2-methylsulfanylphenoxy)quinolin-4-yl]methanol
CID 63648216
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107713792
[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanol
CID 107713532
6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol (CID 80879243) is [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol is CSc1nc(N)cc(Oc2ccccc2CO)n1.
What is the InChIKey of [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is JFUSNNARXYKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-18-12-14-10(13)6-11(15-12)17-9-5-3-2-4-8(9)7-16/h2-6,16H,7H2,1H3,(H2,13,14,15).
What are the key properties of [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol?
[2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 263.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 80879243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).