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

C6H7ClN2OS — CID 59419388

IUPAC(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncc(CO)c(Cl)n1
InChIInChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3
InChIKeyADJUHOQFENGHSW-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.34
Rot. Bonds2

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

(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 59419388) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID59419388
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name(4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncc(CO)c(Cl)n1
InChIInChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3
InChIKeyADJUHOQFENGHSW-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

Analyze (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol (CID 59419388) is (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol is CSc1ncc(CO)c(Cl)n1.
What is the InChIKey of (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is ADJUHOQFENGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3.
What are the key properties of (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol?
(4-chloro-2-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-2-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 59419388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).