2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C11H16F3N3OS — CID 80877951

IUPAC2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCCNc1cc(OC(C)C(F)(F)F)nc(SC)n1
InChIInChI=1S/C11H16F3N3OS/c1-4-5-15-8-6-9(17-10(16-8)19-3)18-7(2)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyYJYAUYYDPYGTGJ-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.35
Rot. Bonds6

About 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80877951) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80877951
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCCNc1cc(OC(C)C(F)(F)F)nc(SC)n1
InChIInChI=1S/C11H16F3N3OS/c1-4-5-15-8-6-9(17-10(16-8)19-3)18-7(2)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyYJYAUYYDPYGTGJ-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942175
2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879362
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107171734
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 102723684
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
6-(2,2-difluoroethoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 82010545
N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80860112
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
6-(2-methylbutylsulfanyl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107765811
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
5-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106138292

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80877951) is 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CCCNc1cc(OC(C)C(F)(F)F)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is YJYAUYYDPYGTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-4-5-15-8-6-9(17-10(16-8)19-3)18-7(2)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 295.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80877951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).