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

C13H15N3O2S — CID 80871561

IUPAC[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
SMILESCNc1cc(Oc2ccc(CO)cc2)nc(SC)n1
InChIInChI=1S/C13H15N3O2S/c1-14-11-7-12(16-13(15-11)19-2)18-10-5-3-9(8-17)4-6-10/h3-7,17H,8H2,1-2H3,(H,14,15,16)
InChIKeyMYAAOBUIFWBTJH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.52
Rot. Bonds5

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

[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80871561) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80871561
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
SMILESCNc1cc(Oc2ccc(CO)cc2)nc(SC)n1
InChIInChI=1S/C13H15N3O2S/c1-14-11-7-12(16-13(15-11)19-2)18-10-5-3-9(8-17)4-6-10/h3-7,17H,8H2,1-2H3,(H,14,15,16)
InChIKeyMYAAOBUIFWBTJH-UHFFFAOYSA-N
XLogP2.52
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80879432
6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
N-methyl-2-methylsulfanyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875303
[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871140
2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879362
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103176374
N-methyl-2-methylsulfanyl-6-(3-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875503
6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80875276
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272
6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 107662702
[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872360
6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80863333

Frequently Asked Questions

What is the IUPAC name of [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol (CID 80871561) is [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol is CNc1cc(Oc2ccc(CO)cc2)nc(SC)n1.
What is the InChIKey of [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is MYAAOBUIFWBTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-14-11-7-12(16-13(15-11)19-2)18-10-5-3-9(8-17)4-6-10/h3-7,17H,8H2,1-2H3,(H,14,15,16).
What are the key properties of [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol?
[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 277.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80871561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).