1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol

C10H15F3N4OS — CID 106248871

IUPAC1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H15F3N4OS/c1-9(18,5-19-2)4-15-7-3-6(10(11,12)13)16-8(14)17-7/h3,18H,4-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyVFEHQWUPASFFPP-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.60
Rot. Bonds5

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

1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106248871) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106248871
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H15F3N4OS/c1-9(18,5-19-2)4-15-7-3-6(10(11,12)13)16-8(14)17-7/h3,18H,4-5H2,1-2H3,(H3,14,15,16,17)
InChIKeyVFEHQWUPASFFPP-UHFFFAOYSA-N
XLogP1.60
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

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Related Compounds

3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
6-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-2,4-diamine
CID 106434004
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358269
1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71862378
4-N-(2-methyl-2-thiophen-2-ylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565509
1-[(5-amino-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243671
4-N-[(4-methylphenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563927
4-N-[(6-methyl-2-pyridinyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564857

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 106248871) is 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is VFEHQWUPASFFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-9(18,5-19-2)4-15-7-3-6(10(11,12)13)16-8(14)17-7/h3,18H,4-5H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 296.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106248871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).