[3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol

C12H10F2N2OS — CID 55238151

IUPAC[3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
SMILESCc1ccnc(Sc2c(F)cc(CO)cc2F)n1
InChIInChI=1S/C12H10F2N2OS/c1-7-2-3-15-12(16-7)18-11-9(13)4-8(6-17)5-10(11)14/h2-5,17H,6H2,1H3
InChIKeyNUMOUXINUVDIRH-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.71
Rot. Bonds3

About [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol

[3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol (PubChem CID 55238151) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
PubChem CID55238151
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name[3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
SMILESCc1ccnc(Sc2c(F)cc(CO)cc2F)n1
InChIInChI=1S/C12H10F2N2OS/c1-7-2-3-15-12(16-7)18-11-9(13)4-8(6-17)5-10(11)14/h2-5,17H,6H2,1H3
InChIKeyNUMOUXINUVDIRH-UHFFFAOYSA-N
XLogP2.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-Difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanol
CID 49790529
(4-Fluoro-2-methylsulfanylpyrimidin-5-yl)-phenylmethanol
CID 10060663
[2-(2-Methylsulfanylpyrimidin-4-yl)phenyl]methanol
CID 56722954
(2-Fluorophenyl)(4-methylthio-5-pyrimidinyl)methanol
CID 23227016
[4-(4-Fluorophenyl)-2-(methylsulfanyl)pyrimidin-5-yl]methanol
CID 46941731
(2-Fluorophenyl)-pyrimidin-4-ylmethanol
CID 63987870
(4-Fluorophenyl)(pyrimidin-4-yl)methanol
CID 63988718
[3-[2-[4-(Trifluoromethyl)pyrimidin-2-yl]ethyl]phenyl]methanol
CID 122476115
1-(2,4-Difluorophenyl)-2-(5-fluoropyrimidin-4-yl)propan-1-ol
CID 123383590
(4-Fluorophenyl)-(4-methylsulfanylpyrimidin-5-yl)methanol
CID 139894396
1-(4-Fluorophenyl)-2-methyl-1-(4-methylsulfanylpyrimidin-5-yl)propan-1-ol
CID 139894397
(4-Fluorophenyl)-[1-(4-methylsulfanylpyrimidin-5-yl)cyclopropyl]methanol
CID 139894400

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol?
The IUPAC name of [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol (CID 55238151) is [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol is Cc1ccnc(Sc2c(F)cc(CO)cc2F)n1.
What is the InChIKey of [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol?
The InChIKey is NUMOUXINUVDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-7-2-3-15-12(16-7)18-11-9(13)4-8(6-17)5-10(11)14/h2-5,17H,6H2,1H3.
What are the key properties of [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol?
[3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol has a molecular weight of 268.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 55238151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).