5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine

C17H21F3N4S — CID 146661684

IUPAC5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine
SMILESCCCCC(CC)c1cnc(N)c(SC(F)(F)F)c1-c1ccncn1
InChIInChI=1S/C17H21F3N4S/c1-3-5-6-11(4-2)12-9-23-16(21)15(25-17(18,19)20)14(12)13-7-8-22-10-24-13/h7-11H,3-6H2,1-2H3,(H2,21,23)
InChIKeyFEFIOUDNFJUCGU-UHFFFAOYSA-N
MW370.44 g/mol
LogP5.42
Rot. Bonds7

About 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine

5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine (PubChem CID 146661684) has the molecular formula C17H21F3N4S and a molecular weight of 370.44 g/mol. Its IUPAC name is 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound Name5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine
PubChem CID146661684
Molecular FormulaC17H21F3N4S
Molecular Weight370.44 g/mol
Exact Mass370.14
IUPAC Name5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine
SMILESCCCCC(CC)c1cnc(N)c(SC(F)(F)F)c1-c1ccncn1
InChIInChI=1S/C17H21F3N4S/c1-3-5-6-11(4-2)12-9-23-16(21)15(25-17(18,19)20)14(12)13-7-8-22-10-24-13/h7-11H,3-6H2,1-2H3,(H2,21,23)
InChIKeyFEFIOUDNFJUCGU-UHFFFAOYSA-N
XLogP5.42
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine?
The IUPAC name of 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine (CID 146661684) is 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine.
What is the SMILES notation for 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine?
The canonical SMILES for 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine is CCCCC(CC)c1cnc(N)c(SC(F)(F)F)c1-c1ccncn1.
What is the InChIKey of 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine?
The InChIKey is FEFIOUDNFJUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4S/c1-3-5-6-11(4-2)12-9-23-16(21)15(25-17(18,19)20)14(12)13-7-8-22-10-24-13/h7-11H,3-6H2,1-2H3,(H2,21,23).
What are the key properties of 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine?
5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine has a molecular weight of 370.44 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-3-yl-4-pyrimidin-4-yl-3-(trifluoromethylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 146661684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).