N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide

C104H104F12N16O8 — CID 159458081

IUPACN-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESC=C(C)c1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)n1.C=C(C)c1cc(N2CCOCC2)nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C(C)C)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(C(C)C)cc(N2CCOCC2)n1
InChIInChI=1S/C26H27F3N4O2.C26H25F3N4O2.C26H27F3N4O2.C26H25F3N4O2/c2*1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29;2*1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-16H,9-12H2,1-3H3,(H,30,34);4-8,13-15H,1,9-12H2,2-3H3,(H,30,34);4-8,13-16H,9-12H2,1-3H3,(H,30,34);4-8,13-15H,1,9-12H2,2-3H3,(H,30,34)
InChIKeyLUFUNQRDMFUVTC-UHFFFAOYSA-N
MW1934.06 g/mol
LogP22.55
Rot. Bonds20

About N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 159458081) has the molecular formula C104H104F12N16O8 and a molecular weight of 1934.06 g/mol. Its IUPAC name is N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID159458081
Molecular FormulaC104H104F12N16O8
Molecular Weight1934.06 g/mol
Exact Mass1932.80
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESC=C(C)c1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)n1.C=C(C)c1cc(N2CCOCC2)nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C(C)C)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(C(C)C)cc(N2CCOCC2)n1
InChIInChI=1S/C26H27F3N4O2.C26H25F3N4O2.C26H27F3N4O2.C26H25F3N4O2/c2*1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29;2*1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-16H,9-12H2,1-3H3,(H,30,34);4-8,13-15H,1,9-12H2,2-3H3,(H,30,34);4-8,13-16H,9-12H2,1-3H3,(H,30,34);4-8,13-15H,1,9-12H2,2-3H3,(H,30,34)
InChIKeyLUFUNQRDMFUVTC-UHFFFAOYSA-N
XLogP22.55
TPSA269.40 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.06
LogP ≤ 522.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

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
1-[4-[4-(Dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 126752691
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-[6-morpholin-4-yl-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 86295665
N-[4-methyl-3-[2-(methylamino)-6-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 86295667
N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyrimidin-4-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 86295874
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
N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86295878

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 159458081) is N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide is C=C(C)c1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)n1.C=C(C)c1cc(N2CCOCC2)nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C(C)C)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc(C(C)C)cc(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LUFUNQRDMFUVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2.C26H25F3N4O2.C26H27F3N4O2.C26H25F3N4O2/c2*1-16(2)22-15-23(33-9-11-35-12-10-33)32-24(31-22)21-14-20(8-7-17(21)3)30-25(34)18-5-4-6-19(13-18)26(27,28)29;2*1-16(2)22-15-23(32-25(31-22)33-9-11-35-12-10-33)21-14-20(8-7-17(21)3)30-24(34)18-5-4-6-19(13-18)26(27,28)29/h4-8,13-16H,9-12H2,1-3H3,(H,30,34);4-8,13-15H,1,9-12H2,2-3H3,(H,30,34);4-8,13-16H,9-12H2,1-3H3,(H,30,34);4-8,13-15H,1,9-12H2,2-3H3,(H,30,34).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1934.06 g/mol, XLogP of 22.55, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159458081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).