3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide

C24H27N5O4 — CID 53047904

IUPAC3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1OC
InChIInChI=1S/C24H27N5O4/c1-16-14-22(28-24(25-16)29-10-12-33-13-11-29)26-18-5-7-19(8-6-18)27-23(30)17-4-9-20(31-2)21(15-17)32-3/h4-9,14-15H,10-13H2,1-3H3,(H,27,30)(H,25,26,28)
InChIKeyFYJBOFDVYQMMLS-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.63
Rot. Bonds7

About 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide

3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 53047904) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID53047904
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1OC
InChIInChI=1S/C24H27N5O4/c1-16-14-22(28-24(25-16)29-10-12-33-13-11-29)26-18-5-7-19(8-6-18)27-23(30)17-4-9-20(31-2)21(15-17)32-3/h4-9,14-15H,10-13H2,1-3H3,(H,27,30)(H,25,26,28)
InChIKeyFYJBOFDVYQMMLS-UHFFFAOYSA-N
XLogP3.63
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3,4-dimethoxy-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047832
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide
CID 122326128
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53047921
3,4-dimethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 44826867
(E)-3-(3,4-dimethoxyphenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 122325963
4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326059
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122326061
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 53047904) is 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCOCC4)n3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is FYJBOFDVYQMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-16-14-22(28-24(25-16)29-10-12-33-13-11-29)26-18-5-7-19(8-6-18)27-23(30)17-4-9-20(31-2)21(15-17)32-3/h4-9,14-15H,10-13H2,1-3H3,(H,27,30)(H,25,26,28).
What are the key properties of 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide?
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 53047904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).