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

C9H12F3N3OS — CID 106775026

IUPAC2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol
SMILESCCNc1cc(SCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3OS/c1-2-13-6-5-7(17-4-3-16)15-8(14-6)9(10,11)12/h5,16H,2-4H2,1H3,(H,13,14,15)
InChIKeyBXZJTSDAAIUQFD-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.01
Rot. Bonds5

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

2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol (PubChem CID 106775026) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol
PubChem CID106775026
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol
SMILESCCNc1cc(SCCO)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3OS/c1-2-13-6-5-7(17-4-3-16)15-8(14-6)9(10,11)12/h5,16H,2-4H2,1H3,(H,13,14,15)
InChIKeyBXZJTSDAAIUQFD-UHFFFAOYSA-N
XLogP2.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 235450
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
1,1,1-Trifluoro-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 105649666
1,1-Difluoro-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propan-2-ol
CID 105649724
3-[[6-(Ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 105649837
3-[(6-Amino-2-methylsulfanylpyrimidin-4-yl)amino]-1,1-difluoropropan-2-ol
CID 105649867
1,1-Difluoro-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 105649873
N-[2-(2,2-difluoroethoxy)ethyl]-6-methylsulfanylpyrimidin-4-amine
CID 105913026

Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol?
The IUPAC name of 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol (CID 106775026) is 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol.
What is the SMILES notation for 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol?
The canonical SMILES for 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol is CCNc1cc(SCCO)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol?
The InChIKey is BXZJTSDAAIUQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c1-2-13-6-5-7(17-4-3-16)15-8(14-6)9(10,11)12/h5,16H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol?
2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol has a molecular weight of 267.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanylethanol is sourced from PubChem (CID 106775026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).