(4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol

C6H7ClN2OS — CID 20671927

IUPAC(4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncnc(Cl)c1CO
InChIInChI=1S/C6H7ClN2OS/c1-11-6-4(2-10)5(7)8-3-9-6/h3,10H,2H2,1H3
InChIKeyIHYWAUFWHUPIMS-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.34
Rot. Bonds2

About (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol

(4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 20671927) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID20671927
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name(4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncnc(Cl)c1CO
InChIInChI=1S/C6H7ClN2OS/c1-11-6-4(2-10)5(7)8-3-9-6/h3,10H,2H2,1H3
InChIKeyIHYWAUFWHUPIMS-UHFFFAOYSA-N
XLogP1.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol (CID 20671927) is (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol is CSc1ncnc(Cl)c1CO.
What is the InChIKey of (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is IHYWAUFWHUPIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-11-6-4(2-10)5(7)8-3-9-6/h3,10H,2H2,1H3.
What are the key properties of (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol?
(4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol has a molecular weight of 190.66 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 20671927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).