N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide

C20H26N6O3 — CID 142833982

IUPACN-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
SMILESC/N=C/c1c(C)nc(N2CCOCC2)nc1Nc1cc(C(=O)NOC)ccc1C
InChIInChI=1S/C20H26N6O3/c1-13-5-6-15(19(27)25-28-4)11-17(13)23-18-16(12-21-3)14(2)22-20(24-18)26-7-9-29-10-8-26/h5-6,11-12H,7-10H2,1-4H3,(H,25,27)(H,22,23,24)/b21-12+
InChIKeyFQNDWLGJNWLLEI-CIAFOILYSA-N
MW398.47 g/mol
LogP2.01
Rot. Bonds6

About N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide

N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide (PubChem CID 142833982) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
PubChem CID142833982
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC NameN-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
SMILESC/N=C/c1c(C)nc(N2CCOCC2)nc1Nc1cc(C(=O)NOC)ccc1C
InChIInChI=1S/C20H26N6O3/c1-13-5-6-15(19(27)25-28-4)11-17(13)23-18-16(12-21-3)14(2)22-20(24-18)26-7-9-29-10-8-26/h5-6,11-12H,7-10H2,1-4H3,(H,25,27)(H,22,23,24)/b21-12+
InChIKeyFQNDWLGJNWLLEI-CIAFOILYSA-N
XLogP2.01
TPSA100.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(1,4-diazepan-1-yl)-6-[2,2-dimethylpropyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-N-methoxy-4-methylbenzamide
CID 11786421
1-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-(2-methylphenyl)urea
CID 91968661
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3732346
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504408
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
N-(5-methoxy-2-morpholin-4-ylphenyl)-3,4-dimethylbenzamide
CID 17027218
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[(6-morpholin-4-ylpyrido[3,2-d]pyrimidin-4-yl)amino]benzamide
CID 46873217
methyl N-[4-[5-(methoxycarbamoyl)-2-methylanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 24755251
3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 174437444
3-[(6-chloro-5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-methoxy-4-methylbenzamide;ethane
CID 142201961

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide (CID 142833982) is N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide is C/N=C/c1c(C)nc(N2CCOCC2)nc1Nc1cc(C(=O)NOC)ccc1C.
What is the InChIKey of N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide?
The InChIKey is FQNDWLGJNWLLEI-CIAFOILYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13-5-6-15(19(27)25-28-4)11-17(13)23-18-16(12-21-3)14(2)22-20(24-18)26-7-9-29-10-8-26/h5-6,11-12H,7-10H2,1-4H3,(H,25,27)(H,22,23,24)/b21-12+.
What are the key properties of N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide?
N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide has a molecular weight of 398.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-methyl-3-[[6-methyl-5-(methyliminomethyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 142833982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).