[6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol

C13H14N2OS — CID 106849805

IUPAC[6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol
SMILESCSc1ccc(-c2nc(C)cc(CO)n2)cc1
InChIInChI=1S/C13H14N2OS/c1-9-7-11(8-16)15-13(14-9)10-3-5-12(17-2)6-4-10/h3-7,16H,8H2,1-2H3
InChIKeyMWGJRILLDKYAQG-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.67
Rot. Bonds3

About [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol

[6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol (PubChem CID 106849805) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol
PubChem CID106849805
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name[6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol
SMILESCSc1ccc(-c2nc(C)cc(CO)n2)cc1
InChIInChI=1S/C13H14N2OS/c1-9-7-11(8-16)15-13(14-9)10-3-5-12(17-2)6-4-10/h3-7,16H,8H2,1-2H3
InChIKeyMWGJRILLDKYAQG-UHFFFAOYSA-N
XLogP2.67
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol?
The IUPAC name of [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol (CID 106849805) is [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol is CSc1ccc(-c2nc(C)cc(CO)n2)cc1.
What is the InChIKey of [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol?
The InChIKey is MWGJRILLDKYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-7-11(8-16)15-13(14-9)10-3-5-12(17-2)6-4-10/h3-7,16H,8H2,1-2H3.
What are the key properties of [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol?
[6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol has a molecular weight of 246.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 106849805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).