(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol

C8H12N2OS — CID 91728551

IUPAC(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1nc(C)c(CO)c(C)n1
InChIInChI=1S/C8H12N2OS/c1-5-7(4-11)6(2)10-8(9-5)12-3/h11H,4H2,1-3H3
InChIKeyGQFBKCMOVQMTBX-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.31
Rot. Bonds2

About (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol

(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 91728551) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID91728551
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1nc(C)c(CO)c(C)n1
InChIInChI=1S/C8H12N2OS/c1-5-7(4-11)6(2)10-8(9-5)12-3/h11H,4H2,1-3H3
InChIKeyGQFBKCMOVQMTBX-UHFFFAOYSA-N
XLogP1.31
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol (CID 91728551) is (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol is CSc1nc(C)c(CO)c(C)n1.
What is the InChIKey of (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is GQFBKCMOVQMTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5-7(4-11)6(2)10-8(9-5)12-3/h11H,4H2,1-3H3.
What are the key properties of (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol?
(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol has a molecular weight of 184.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 91728551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).