4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide

C47H52Cl3F3N12O7 — CID 157375606

IUPAC4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2=O)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C27H26F3N5O4.C12H17ClN4O2.C8H9Cl2N3O/c1-17-5-6-20(31-25(37)18-3-2-4-19(13-18)27(28,29)30)14-21(17)22-15-23(35-9-12-39-16-24(35)36)33-26(32-22)34-7-10-38-11-8-34;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h2-6,13-15H,7-12,16H2,1H3,(H,31,37);9H,1-8H2;5H,1-4H2
InChIKeyBKHGFFKANJORFF-UHFFFAOYSA-N
MW1060.36 g/mol
LogP6.35
Rot. Bonds8

About 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide

4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 157375606) has the molecular formula C47H52Cl3F3N12O7 and a molecular weight of 1060.36 g/mol. Its IUPAC name is 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID157375606
Molecular FormulaC47H52Cl3F3N12O7
Molecular Weight1060.36 g/mol
Exact Mass1058.31
IUPAC Name4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2=O)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C27H26F3N5O4.C12H17ClN4O2.C8H9Cl2N3O/c1-17-5-6-20(31-25(37)18-3-2-4-19(13-18)27(28,29)30)14-21(17)22-15-23(35-9-12-39-16-24(35)36)33-26(32-22)34-7-10-38-11-8-34;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h2-6,13-15H,7-12,16H2,1H3,(H,31,37);9H,1-8H2;5H,1-4H2
InChIKeyBKHGFFKANJORFF-UHFFFAOYSA-N
XLogP6.35
TPSA185.86 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001060.36
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-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
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-(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
N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296093
N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296094
N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86296096
N-[3-[6-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86296308

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 157375606) is 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2=O)nc(N2CCOCC2)n1.Clc1cc(Cl)nc(N2CCOCC2)n1.Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BKHGFFKANJORFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O4.C12H17ClN4O2.C8H9Cl2N3O/c1-17-5-6-20(31-25(37)18-3-2-4-19(13-18)27(28,29)30)14-21(17)22-15-23(35-9-12-39-16-24(35)36)33-26(32-22)34-7-10-38-11-8-34;13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h2-6,13-15H,7-12,16H2,1H3,(H,31,37);9H,1-8H2;5H,1-4H2.
What are the key properties of 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide?
4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1060.36 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;N-[4-methyl-3-[2-morpholin-4-yl-6-(3-oxomorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157375606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).