N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide

C28H30F3N5O3 — CID 86296310

IUPACN-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCO[C@H](C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C28H30F3N5O3/c1-18-6-7-22(32-26(37)20-4-3-5-21(14-20)28(29,30)31)15-23(18)24-16-25(36-10-13-39-19(2)17-36)34-27(33-24)35-8-11-38-12-9-35/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,32,37)/t19-/m1/s1
InChIKeyCOVZIQFEGYGTDK-LJQANCHMSA-N
MW541.57 g/mol
LogP4.78
Rot. Bonds5

About N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 86296310) has the molecular formula C28H30F3N5O3 and a molecular weight of 541.57 g/mol. Its IUPAC name is N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID86296310
Molecular FormulaC28H30F3N5O3
Molecular Weight541.57 g/mol
Exact Mass541.23
IUPAC NameN-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCO[C@H](C)C2)nc(N2CCOCC2)n1
InChIInChI=1S/C28H30F3N5O3/c1-18-6-7-22(32-26(37)20-4-3-5-21(14-20)28(29,30)31)15-23(18)24-16-25(36-10-13-39-19(2)17-36)34-27(33-24)35-8-11-38-12-9-35/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,32,37)/t19-/m1/s1
InChIKeyCOVZIQFEGYGTDK-LJQANCHMSA-N
XLogP4.78
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 86296310) is N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCO[C@H](C)C2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is COVZIQFEGYGTDK-LJQANCHMSA-N. The full InChI is InChI=1S/C28H30F3N5O3/c1-18-6-7-22(32-26(37)20-4-3-5-21(14-20)28(29,30)31)15-23(18)24-16-25(36-10-13-39-19(2)17-36)34-27(33-24)35-8-11-38-12-9-35/h3-7,14-16,19H,8-13,17H2,1-2H3,(H,32,37)/t19-/m1/s1.
What are the key properties of N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 541.57 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86296310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).