N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

C39H47ClF6N12O4 — CID 159135553

IUPACN-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Cl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1
InChIInChI=1S/C20H23F3N6O3.C19H23F3N6O.ClH/c1-13(30)25-17-10-15(20(21,22)23)14(12-24-17)16-11-18(28-2-6-31-7-3-28)27-19(26-16)29-4-8-32-9-5-29;20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-6-8-29-9-7-27)26-18(25-15)28-4-2-1-3-5-28;/h10-12H,2-9H2,1H3,(H,24,25,30);10-12H,1-9H2,(H2,23,24);1H
InChIKeyFJDYACFIHWENIF-UHFFFAOYSA-N
MW897.33 g/mol
LogP5.58
Rot. Bonds7

About N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride

N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride (PubChem CID 159135553) has the molecular formula C39H47ClF6N12O4 and a molecular weight of 897.33 g/mol. Its IUPAC name is N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
PubChem CID159135553
Molecular FormulaC39H47ClF6N12O4
Molecular Weight897.33 g/mol
Exact Mass896.34
IUPAC NameN-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Cl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1
InChIInChI=1S/C20H23F3N6O3.C19H23F3N6O.ClH/c1-13(30)25-17-10-15(20(21,22)23)14(12-24-17)16-11-18(28-2-6-31-7-3-28)27-19(26-16)29-4-8-32-9-5-29;20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-6-8-29-9-7-27)26-18(25-15)28-4-2-1-3-5-28;/h10-12H,2-9H2,1H3,(H,24,25,30);10-12H,1-9H2,(H2,23,24);1H
InChIKeyFJDYACFIHWENIF-UHFFFAOYSA-N
XLogP5.58
TPSA173.11 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.33
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride with MolForge

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Related Compounds

Buparlisib
CID 16654980
2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783656
N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl]acetamide
CID 46202976
5-(2,6-Dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 59507767
1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
CID 59507788
1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one
CID 59507806
5-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507962
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 78320151
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 78324544
2-Amino-4-(trifluoromethyl)-5-[2-(2alpha,6alpha-dimethylmorpholine-4-yl)-4-morpholinopyrimidine-6-yl]pyridine
CID 78324546
1-[4-[2-Morpholin-4-yl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 117685483
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 121334370

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride (CID 159135553) is N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride is CC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.Cl.Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCCCC3)n2)cn1.
What is the InChIKey of N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The InChIKey is FJDYACFIHWENIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O3.C19H23F3N6O.ClH/c1-13(30)25-17-10-15(20(21,22)23)14(12-24-17)16-11-18(28-2-6-31-7-3-28)27-19(26-16)29-4-8-32-9-5-29;20-19(21,22)14-10-16(23)24-12-13(14)15-11-17(27-6-8-29-9-7-27)26-18(25-15)28-4-2-1-3-5-28;/h10-12H,2-9H2,1H3,(H,24,25,30);10-12H,1-9H2,(H2,23,24);1H.
What are the key properties of N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride?
N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride has a molecular weight of 897.33 g/mol, XLogP of 5.58, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide;5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 159135553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).