2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C9H12F3N3OS — CID 107484587

IUPAC2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCSc1cc(N(CCO)CC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3OS/c1-17-8-4-7(13-6-14-8)15(2-3-16)5-9(10,11)12/h4,6,16H,2-3,5H2,1H3
InChIKeyBTLYTZCELCPVNZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.56
Rot. Bonds5

About 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484587) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484587
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCSc1cc(N(CCO)CC(F)(F)F)ncn1
InChIInChI=1S/C9H12F3N3OS/c1-17-8-4-7(13-6-14-8)15(2-3-16)5-9(10,11)12/h4,6,16H,2-3,5H2,1H3
InChIKeyBTLYTZCELCPVNZ-UHFFFAOYSA-N
XLogP1.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

1,1,1-Trifluoro-3-pyrimidin-4-ylsulfanylpropan-2-ol
CID 63900649
2-(6-Fluoropyrimidin-4-yl)sulfanylpropan-1-ol
CID 104086043
1,1,1-Trifluoro-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 105647170
1,1-Difluoro-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propan-2-ol
CID 105647753
N-[2-(2,2-difluoroethoxy)ethyl]-6-methylsulfanylpyrimidin-4-amine
CID 105913026
2,2-Difluoro-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 106172234
6-methylsulfanyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106293804
2-[6-(Methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol
CID 106775024
2-[6-(Ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol
CID 106775026
3-[6-(Methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 106775243
3-[6-(Propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 106775245
3-[6-(Ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 106775246

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484587) is 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CSc1cc(N(CCO)CC(F)(F)F)ncn1.
What is the InChIKey of 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is BTLYTZCELCPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-17-8-4-7(13-6-14-8)15(2-3-16)5-9(10,11)12/h4,6,16H,2-3,5H2,1H3.
What are the key properties of 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 267.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylsulfanylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).