N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H13F3N4S — CID 106774883

IUPACN-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2ccccn2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4S/c1-2-6-17-9-8-11(20-12(19-9)13(14,15)16)21-10-5-3-4-7-18-10/h3-5,7-8H,2,6H2,1H3,(H,17,19,20)
InChIKeyXMCZQFSKFGTNBU-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.86
Rot. Bonds5

About N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine

N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774883) has the molecular formula C13H13F3N4S and a molecular weight of 314.34 g/mol. Its IUPAC name is N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774883
Molecular FormulaC13H13F3N4S
Molecular Weight314.34 g/mol
Exact Mass314.08
IUPAC NameN-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Sc2ccccn2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4S/c1-2-6-17-9-8-11(20-12(19-9)13(14,15)16)21-10-5-3-4-7-18-10/h3-5,7-8H,2,6H2,1H3,(H,17,19,20)
InChIKeyXMCZQFSKFGTNBU-UHFFFAOYSA-N
XLogP3.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774979
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775300
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
4-N-cyclobutyl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771739
N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775301
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882443
4-N-(2-methylsulfanylpropyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772999
N-propyl-6-(pyridin-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769802
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774883) is N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Sc2ccccn2)nc(C(F)(F)F)n1.
What is the InChIKey of N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XMCZQFSKFGTNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4S/c1-2-6-17-9-8-11(20-12(19-9)13(14,15)16)21-10-5-3-4-7-18-10/h3-5,7-8H,2,6H2,1H3,(H,17,19,20).
What are the key properties of N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 314.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-pyridin-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).