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

C26H31N5O4 — CID 27655731

IUPAC3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1OCC
InChIInChI=1S/C26H31N5O4/c1-4-34-22-11-6-19(17-23(22)35-5-2)25(32)28-20-7-9-21(10-8-20)29-26-27-18(3)16-24(30-26)31-12-14-33-15-13-31/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,28,32)(H,27,29,30)
InChIKeyYWPSJWKEPBRAPI-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.41
Rot. Bonds9

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

3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 27655731) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID27655731
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1OCC
InChIInChI=1S/C26H31N5O4/c1-4-34-22-11-6-19(17-23(22)35-5-2)25(32)28-20-7-9-21(10-8-20)29-26-27-18(3)16-24(30-26)31-12-14-33-15-13-31/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,28,32)(H,27,29,30)
InChIKeyYWPSJWKEPBRAPI-UHFFFAOYSA-N
XLogP4.41
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3,4-dimethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 44826867
3,4-dimethoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478293
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 122288154
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792595
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]oxane-4-carboxamide
CID 122288097
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-4-pentoxybenzamide
CID 122287620
6-methoxy-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]pyridine-3-carboxamide
CID 122287660
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122288067
3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 18566688
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 27655731) is 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCOCC4)n3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is YWPSJWKEPBRAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-4-34-22-11-6-19(17-23(22)35-5-2)25(32)28-20-7-9-21(10-8-20)29-26-27-18(3)16-24(30-26)31-12-14-33-15-13-31/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,28,32)(H,27,29,30).
What are the key properties of 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide?
3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 477.57 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 27655731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).