4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide

C35H33Cl3F3N9O3 — CID 159346415

IUPAC4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ncn1.Clc1cc(Cl)ncn1.Clc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C23H21F3N4O2.C8H10ClN3O.C4H2Cl2N2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30;9-7-5-8(11-6-10-7)12-1-3-13-4-2-12;5-3-1-4(6)8-2-7-3/h2-6,11-14H,7-10H2,1H3,(H,29,31);5-6H,1-4H2;1-2H
InChIKeyLGTZNHHJTQGFOZ-UHFFFAOYSA-N
MW791.06 g/mol
LogP7.31
Rot. Bonds5

About 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide

4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 159346415) has the molecular formula C35H33Cl3F3N9O3 and a molecular weight of 791.06 g/mol. Its IUPAC name is 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID159346415
Molecular FormulaC35H33Cl3F3N9O3
Molecular Weight791.06 g/mol
Exact Mass789.17
IUPAC Name4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ncn1.Clc1cc(Cl)ncn1.Clc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C23H21F3N4O2.C8H10ClN3O.C4H2Cl2N2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30;9-7-5-8(11-6-10-7)12-1-3-13-4-2-12;5-3-1-4(6)8-2-7-3/h2-6,11-14H,7-10H2,1H3,(H,29,31);5-6H,1-4H2;1-2H
InChIKeyLGTZNHHJTQGFOZ-UHFFFAOYSA-N
XLogP7.31
TPSA131.38 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500791.06
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(3-morpholinopropylamino)quinazolin-6-yl)benzamide
CID 16086116
N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 78325057
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295666
3-[4-[3-(Morpholine-4-carbonyl)anilino]quinazolin-6-yl]-5-(trifluoromethyl)benzamide
CID 137644139
4-methyl-3-(2-(methyl(3-morpholinopropyl)amino)quinazolin-6-yl)-N-(2-methyl-3-(trifluoromethyl)phenyl)benzamide
CID 16086117
3-(2-cyanopropan-2-yl)-N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]benzamide
CID 86295250
N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 86295253
N-(3-(2-(ethylamino)-6-morpholinopyrimidin-4-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 86295458
N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 86295667
N-[3-(2-imidazol-1-yl-6-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295669
N-(4-methyl-3-(6-morpholino-2-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 86295876
N-[3-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295877

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 159346415) is 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ncn1.Clc1cc(Cl)ncn1.Clc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LGTZNHHJTQGFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2.C8H10ClN3O.C4H2Cl2N2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30;9-7-5-8(11-6-10-7)12-1-3-13-4-2-12;5-3-1-4(6)8-2-7-3/h2-6,11-14H,7-10H2,1H3,(H,29,31);5-6H,1-4H2;1-2H.
What are the key properties of 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 791.06 g/mol, XLogP of 7.31, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159346415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).