(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol

C7H9ClN2OS — CID 88942303

IUPAC(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1nc(C)c(CO)c(Cl)n1
InChIInChI=1S/C7H9ClN2OS/c1-4-5(3-11)6(8)10-7(9-4)12-2/h11H,3H2,1-2H3
InChIKeyJMKQGNZOSDEVTR-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.65
Rot. Bonds2

About (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol

(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 88942303) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID88942303
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1nc(C)c(CO)c(Cl)n1
InChIInChI=1S/C7H9ClN2OS/c1-4-5(3-11)6(8)10-7(9-4)12-2/h11H,3H2,1-2H3
InChIKeyJMKQGNZOSDEVTR-UHFFFAOYSA-N
XLogP1.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol (CID 88942303) is (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol is CSc1nc(C)c(CO)c(Cl)n1.
What is the InChIKey of (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is JMKQGNZOSDEVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-4-5(3-11)6(8)10-7(9-4)12-2/h11H,3H2,1-2H3.
What are the key properties of (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol?
(4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol has a molecular weight of 204.68 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methyl-2-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 88942303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).