3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

C9H13FN2OS — CID 103736624

IUPAC3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCc1ncnc(SCC(C)CO)c1F
InChIInChI=1S/C9H13FN2OS/c1-6(3-13)4-14-9-8(10)7(2)11-5-12-9/h5-6,13H,3-4H2,1-2H3
InChIKeyCTFMVICAEGBEBG-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.64
Rot. Bonds4

About 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 103736624) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID103736624
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCc1ncnc(SCC(C)CO)c1F
InChIInChI=1S/C9H13FN2OS/c1-6(3-13)4-14-9-8(10)7(2)11-5-12-9/h5-6,13H,3-4H2,1-2H3
InChIKeyCTFMVICAEGBEBG-UHFFFAOYSA-N
XLogP1.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-difluoro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 112676075
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891280
3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 103880320
3-[(3-amino-5-methyl-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66279373
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891276
3-(3-hydroxy-2-methylpropyl)sulfanylpyrazine-2-carbonitrile
CID 66009684
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropan-1-ol
CID 66105522
5-(3-hydroxy-2-methylpropyl)sulfanylpyridine-2-carboxylic acid
CID 115491251
2-methyl-3-[(4-methyl-3-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 66105083
3-[4-(1-aminoethyl)-2-fluorophenyl]sulfanyl-2-methylpropan-1-ol
CID 66104063
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
3-(2,5-difluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 115870910

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (CID 103736624) is 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is Cc1ncnc(SCC(C)CO)c1F.
What is the InChIKey of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is CTFMVICAEGBEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-6(3-13)4-14-9-8(10)7(2)11-5-12-9/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 103736624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).