[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol

C7H7F3N2OS — CID 21220617

IUPAC[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCSc1ncc(CO)c(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2OS/c1-14-6-11-2-4(3-13)5(12-6)7(8,9)10/h2,13H,3H2,1H3
InChIKeyXRVOPWRDZVVFRP-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.71
Rot. Bonds2

About [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol

[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 21220617) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID21220617
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESCSc1ncc(CO)c(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2OS/c1-14-6-11-2-4(3-13)5(12-6)7(8,9)10/h2,13H,3H2,1H3
InChIKeyXRVOPWRDZVVFRP-UHFFFAOYSA-N
XLogP1.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 21220617) is [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol is CSc1ncc(CO)c(C(F)(F)F)n1.
What is the InChIKey of [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is XRVOPWRDZVVFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-14-6-11-2-4(3-13)5(12-6)7(8,9)10/h2,13H,3H2,1H3.
What are the key properties of [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 224.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 21220617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).