3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

C10H15FN2OS — CID 103880248

IUPAC3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCCc1ncnc(SCC(C)CO)c1F
InChIInChI=1S/C10H15FN2OS/c1-3-8-9(11)10(13-6-12-8)15-5-7(2)4-14/h6-7,14H,3-5H2,1-2H3
InChIKeyXCPWNMGPZOYVHC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.90
Rot. Bonds5

About 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol

3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 103880248) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID103880248
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
SMILESCCc1ncnc(SCC(C)CO)c1F
InChIInChI=1S/C10H15FN2OS/c1-3-8-9(11)10(13-6-12-8)15-5-7(2)4-14/h6-7,14H,3-5H2,1-2H3
InChIKeyXCPWNMGPZOYVHC-UHFFFAOYSA-N
XLogP1.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol (CID 103880248) is 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is CCc1ncnc(SCC(C)CO)c1F.
What is the InChIKey of 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is XCPWNMGPZOYVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2OS/c1-3-8-9(11)10(13-6-12-8)15-5-7(2)4-14/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol?
3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 103880248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).