1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol

C10H13F3N2OS — CID 65043101

IUPAC1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCc1nc(SCC(O)C(F)(F)F)nc(C)c1C
InChIInChI=1S/C10H13F3N2OS/c1-5-6(2)14-9(15-7(5)3)17-4-8(16)10(11,12)13/h8,16H,4H2,1-3H3
InChIKeyPAMKDUFJOHIORK-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.42
Rot. Bonds3

About 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol

1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol (PubChem CID 65043101) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
PubChem CID65043101
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
SMILESCc1nc(SCC(O)C(F)(F)F)nc(C)c1C
InChIInChI=1S/C10H13F3N2OS/c1-5-6(2)14-9(15-7(5)3)17-4-8(16)10(11,12)13/h8,16H,4H2,1-3H3
InChIKeyPAMKDUFJOHIORK-UHFFFAOYSA-N
XLogP2.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol (CID 65043101) is 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol is Cc1nc(SCC(O)C(F)(F)F)nc(C)c1C.
What is the InChIKey of 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
The InChIKey is PAMKDUFJOHIORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-5-6(2)14-9(15-7(5)3)17-4-8(16)10(11,12)13/h8,16H,4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol?
1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol has a molecular weight of 266.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 65043101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).