N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride

C13H11ClF6N4 — CID 154637108

IUPACN-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride
SMILESCNc1cc(-c2cnc(C(F)(F)F)nc2)ncc1CC(F)(F)F.Cl
InChIInChI=1S/C13H10F6N4.ClH/c1-20-9-2-10(21-4-7(9)3-12(14,15)16)8-5-22-11(23-6-8)13(17,18)19;/h2,4-6H,3H2,1H3,(H,20,21);1H
InChIKeyOHCHFDOBFLICTR-UHFFFAOYSA-N
MW372.70 g/mol
LogP4.13
Rot. Bonds3

About N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride

N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride (PubChem CID 154637108) has the molecular formula C13H11ClF6N4 and a molecular weight of 372.70 g/mol. Its IUPAC name is N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride
PubChem CID154637108
Molecular FormulaC13H11ClF6N4
Molecular Weight372.70 g/mol
Exact Mass372.06
IUPAC NameN-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride
SMILESCNc1cc(-c2cnc(C(F)(F)F)nc2)ncc1CC(F)(F)F.Cl
InChIInChI=1S/C13H10F6N4.ClH/c1-20-9-2-10(21-4-7(9)3-12(14,15)16)8-5-22-11(23-6-8)13(17,18)19;/h2,4-6H,3H2,1H3,(H,20,21);1H
InChIKeyOHCHFDOBFLICTR-UHFFFAOYSA-N
XLogP4.13
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride?
The IUPAC name of N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride (CID 154637108) is N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride is CNc1cc(-c2cnc(C(F)(F)F)nc2)ncc1CC(F)(F)F.Cl.
What is the InChIKey of N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride?
The InChIKey is OHCHFDOBFLICTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N4.ClH/c1-20-9-2-10(21-4-7(9)3-12(14,15)16)8-5-22-11(23-6-8)13(17,18)19;/h2,4-6H,3H2,1H3,(H,20,21);1H.
What are the key properties of N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride?
N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride has a molecular weight of 372.70 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,2,2-trifluoroethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-amine;hydrochloride is sourced from PubChem (CID 154637108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).