2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol

C8H10F3N3OS — CID 106775024

IUPAC2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol
SMILESCNc1cc(SCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3OS/c1-12-5-4-6(16-3-2-15)14-7(13-5)8(9,10)11/h4,15H,2-3H2,1H3,(H,12,13,14)
InChIKeyAXMBPKGQCKFANU-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.62
Rot. Bonds4

About 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol

2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol (PubChem CID 106775024) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol
PubChem CID106775024
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol
SMILESCNc1cc(SCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3OS/c1-12-5-4-6(16-3-2-15)14-7(13-5)8(9,10)11/h4,15H,2-3H2,1H3,(H,12,13,14)
InChIKeyAXMBPKGQCKFANU-UHFFFAOYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
CID 610528
6-Prop-2-ynylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 146291225
3-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 63900851
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
1,1,1-Trifluoro-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
CID 105649536
3-[[6-(Ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 105649633
3-[(6-Amino-2-methylsulfanylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105649661
1,1-Difluoro-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
CID 105649724
3-[(6-Amino-2-methylsulfanylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105649867
N-[2-(2,2-difluoroethoxy)ethyl]-6-methylsulfanylpyrimidin-4-amine
CID 105913026
3-[[6-(Ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163400

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol?
The IUPAC name of 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol (CID 106775024) is 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol.
What is the SMILES notation for 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol?
The canonical SMILES for 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol is CNc1cc(SCCO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol?
The InChIKey is AXMBPKGQCKFANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-12-5-4-6(16-3-2-15)14-7(13-5)8(9,10)11/h4,15H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol?
2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol has a molecular weight of 253.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol is sourced from PubChem (CID 106775024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).