2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol

C10H14F3N3OS — CID 114566873

IUPAC2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCNc1nc(SCC(C)CO)cc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3OS/c1-6(4-17)5-18-8-3-7(10(11,12)13)15-9(14-2)16-8/h3,6,17H,4-5H2,1-2H3,(H,14,15,16)
InChIKeyHLISLVXIIRXPAP-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.26
Rot. Bonds5

About 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol

2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol (PubChem CID 114566873) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
PubChem CID114566873
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol
SMILESCNc1nc(SCC(C)CO)cc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3OS/c1-6(4-17)5-18-8-3-7(10(11,12)13)15-9(14-2)16-8/h3,6,17H,4-5H2,1-2H3,(H,14,15,16)
InChIKeyHLISLVXIIRXPAP-UHFFFAOYSA-N
XLogP2.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 102720381
2-methyl-3-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-ol
CID 102720380
2-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565854
2-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565150
[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567865
3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 80891366
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701
3-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80929005
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566901
3-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-methylpropan-1-ol
CID 80980092
2-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565904
2-N-methyl-6-(trifluoromethyl)-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 114565666

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol?
The IUPAC name of 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol (CID 114566873) is 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol?
The canonical SMILES for 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol is CNc1nc(SCC(C)CO)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol?
The InChIKey is HLISLVXIIRXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-6(4-17)5-18-8-3-7(10(11,12)13)15-9(14-2)16-8/h3,6,17H,4-5H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol?
2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol has a molecular weight of 281.30 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 114566873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).