5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

C19H24ClF3N6O — CID 137332306

IUPAC5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H23F3N6O.ClH/c20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-4-2-1-3-5-27)26-18(25-15)28-6-8-29-9-7-28;/h10-12H,1-9H2,(H2,23,24);1H
InChIKeyOLUVCQFNABPJDJ-UHFFFAOYSA-N
MW444.89 g/mol
LogP3.39
Rot. Bonds3

About 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride (PubChem CID 137332306) has the molecular formula C19H24ClF3N6O and a molecular weight of 444.89 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
PubChem CID137332306
Molecular FormulaC19H24ClF3N6O
Molecular Weight444.89 g/mol
Exact Mass444.17
IUPAC Name5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C19H23F3N6O.ClH/c20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-4-2-1-3-5-27)26-18(25-15)28-6-8-29-9-7-28;/h10-12H,1-9H2,(H2,23,24);1H
InChIKeyOLUVCQFNABPJDJ-UHFFFAOYSA-N
XLogP3.39
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.89
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride with MolForge

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Related Compounds

Buparlisib
CID 16654980
Bimiralisib
CID 58507717
Pqr620
CID 121334520
5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 121334433
5-(4-(Dimethylamino)phenyl)-6-(6-morpholin-4-ylpyridin-3-ylethynyl)pyrimidin-4-ylamine
CID 11987868
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46884583
2,4-Pyrimidinediamine, N4-[[4-[[(2-chloro-5-fluoro-4-pyrimidinyl)amino]methyl]phenyl]methyl]-N2-[2-(4-morpholinyl)ethyl]-
CID 49857283
Pqr626
CID 121334440
4-(difluoromethyl)-5-[4-(3,3-dimethylmorpholin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]pyridin-2-amine
CID 121334501

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride (CID 137332306) is 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride is Cl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCCCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The InChIKey is OLUVCQFNABPJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O.ClH/c20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-4-2-1-3-5-27)26-18(25-15)28-6-8-29-9-7-28;/h10-12H,1-9H2,(H2,23,24);1H.
What are the key properties of 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride has a molecular weight of 444.89 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 137332306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).