6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C9H9F6N3OS — CID 102723684

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(SC)n1
InChIInChI=1S/C9H9F6N3OS/c1-16-4-3-5(18-7(17-4)20-2)19-6(8(10,11)12)9(13,14)15/h3,6H,1-2H3,(H,16,17,18)
InChIKeyAAHYSMZORIUYAM-UHFFFAOYSA-N
MW321.25 g/mol
LogP3.11
Rot. Bonds4

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 102723684) has the molecular formula C9H9F6N3OS and a molecular weight of 321.25 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID102723684
Molecular FormulaC9H9F6N3OS
Molecular Weight321.25 g/mol
Exact Mass321.04
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(SC)n1
InChIInChI=1S/C9H9F6N3OS/c1-16-4-3-5(18-7(17-4)20-2)19-6(8(10,11)12)9(13,14)15/h3,6H,1-2H3,(H,16,17,18)
InChIKeyAAHYSMZORIUYAM-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylsulfanylpyrimidine
CID 102722111
2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877951
6-(2-fluoro-3-methylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 107662702
6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 115505931
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103176374
6-(4-chloro-2,6-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80863333
6-(3,4-dimethylphenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80864389
6-(2-iodophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80875276
[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 102723712
6-[3-(2-methoxyethoxy)propoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 103408460
[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
CID 80871561
2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942176

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 102723684) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(SC)n1.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is AAHYSMZORIUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3OS/c1-16-4-3-5(18-7(17-4)20-2)19-6(8(10,11)12)9(13,14)15/h3,6H,1-2H3,(H,16,17,18).
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 321.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 102723684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).