6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H18F3N3S — CID 106774963

IUPAC6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(SC(C)(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3S/c1-5-6-16-8-7-9(19-11(2,3)4)18-10(17-8)12(13,14)15/h7H,5-6H2,1-4H3,(H,16,17,18)
InChIKeySNLSVEZBXYFWMK-UHFFFAOYSA-N
MW293.36 g/mol
LogP4.21
Rot. Bonds4

About 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774963) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774963
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(SC(C)(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3S/c1-5-6-16-8-7-9(19-11(2,3)4)18-10(17-8)12(13,14)15/h7H,5-6H2,1-4H3,(H,16,17,18)
InChIKeySNLSVEZBXYFWMK-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Isobutylsulfanyl-2,6-diisobutylamino-pyrimidine
CID 25130897
6-[2-(dimethylamino)ethylsulfanyl]-N-propan-2-ylpyrimidin-4-amine
CID 172436450
Pyrimidine, 4-methylamino-6-methylthio-
CID 79006689
6-(methylsulfanyl)-N-propylpyrimidin-4-amine
CID 80885847
6-(Methylthio)-2-(trifluoromethyl)-4-pyrimidinamine
CID 610528
6-(Tert-butylsulfanyl)-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 929995
1-Cyano-2-methyl-3-[3-[2-(trifluoromethyl)pyrimidin-4-yl]sulfanylpropyl]guanidine
CID 54036039
6-((Trifluoromethyl)thio)pyrimidin-4-amine
CID 121320703
6-Prop-2-ynylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 146291225
4-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 235896
4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 235450
2-pyrimidin-4-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63696083

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774963) is 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(SC(C)(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SNLSVEZBXYFWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-5-6-16-8-7-9(19-11(2,3)4)18-10(17-8)12(13,14)15/h7H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 293.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).