N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-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

C52H52F6N8O4 — CID 159501804

IUPACN-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-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
SMILESC=C(C)c1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C26H27F3N4O2.C26H25F3N4O2/c2*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)
InChIKeyLZMCSFFJWMOZSP-UHFFFAOYSA-N
MW967.03 g/mol
LogP11.28
Rot. Bonds10

About N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-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-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-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 (PubChem CID 159501804) has the molecular formula C52H52F6N8O4 and a molecular weight of 967.03 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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID159501804
Molecular FormulaC52H52F6N8O4
Molecular Weight967.03 g/mol
Exact Mass966.40
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-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
SMILESC=C(C)c1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C26H27F3N4O2.C26H25F3N4O2/c2*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)
InChIKeyLZMCSFFJWMOZSP-UHFFFAOYSA-N
XLogP11.28
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.03
LogP ≤ 511.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-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 with MolForge

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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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 159501804) is N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-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.
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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide is C=C(C)c1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)nc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C(C)C)nc(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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LZMCSFFJWMOZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2.C26H25F3N4O2/c2*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).
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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 967.03 g/mol, XLogP of 11.28, 10 rotatable bonds, 2 hydrogen bond donors, and 10 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-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159501804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).