(4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol

C7H10N2OS — CID 15063003

IUPAC(4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncc(CO)c(C)n1
InChIInChI=1S/C7H10N2OS/c1-5-6(4-10)3-8-7(9-5)11-2/h3,10H,4H2,1-2H3
InChIKeyKZDAADJPBWUPQK-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.00
Rot. Bonds2

About (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol

(4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 15063003) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID15063003
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name(4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncc(CO)c(C)n1
InChIInChI=1S/C7H10N2OS/c1-5-6(4-10)3-8-7(9-5)11-2/h3,10H,4H2,1-2H3
InChIKeyKZDAADJPBWUPQK-UHFFFAOYSA-N
XLogP1.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol (CID 15063003) is (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol is CSc1ncc(CO)c(C)n1.
What is the InChIKey of (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is KZDAADJPBWUPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-6(4-10)3-8-7(9-5)11-2/h3,10H,4H2,1-2H3.
What are the key properties of (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol?
(4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol has a molecular weight of 170.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 15063003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).