[3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol

C15H18N2OS — CID 65041243

IUPAC[3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
SMILESCc1cc(CO)ccc1Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C15H18N2OS/c1-9-7-13(8-18)5-6-14(9)19-15-16-11(3)10(2)12(4)17-15/h5-7,18H,8H2,1-4H3
InChIKeyWRKLPFQHAIKZRU-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.35
Rot. Bonds3

About [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol

[3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol (PubChem CID 65041243) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
PubChem CID65041243
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
SMILESCc1cc(CO)ccc1Sc1nc(C)c(C)c(C)n1
InChIInChI=1S/C15H18N2OS/c1-9-7-13(8-18)5-6-14(9)19-15-16-11(3)10(2)12(4)17-15/h5-7,18H,8H2,1-4H3
InChIKeyWRKLPFQHAIKZRU-UHFFFAOYSA-N
XLogP3.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol?
The IUPAC name of [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol (CID 65041243) is [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol?
The canonical SMILES for [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol is Cc1cc(CO)ccc1Sc1nc(C)c(C)c(C)n1.
What is the InChIKey of [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol?
The InChIKey is WRKLPFQHAIKZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9-7-13(8-18)5-6-14(9)19-15-16-11(3)10(2)12(4)17-15/h5-7,18H,8H2,1-4H3.
What are the key properties of [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol?
[3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol has a molecular weight of 274.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 65041243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).