4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide

C28H27N5O3 — CID 68913236

IUPAC4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccccc1-c1cc(Nc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)ncn1
InChIInChI=1S/C28H27N5O3/c1-35-26-5-3-2-4-24(26)25-18-27(30-19-29-25)31-21-8-6-20(7-9-21)28(34)32-22-10-12-23(13-11-22)33-14-16-36-17-15-33/h2-13,18-19H,14-17H2,1H3,(H,32,34)(H,29,30,31)
InChIKeyJAZIWVXWQJECOI-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.98
Rot. Bonds7

About 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide

4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 68913236) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID68913236
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCOc1ccccc1-c1cc(Nc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)ncn1
InChIInChI=1S/C28H27N5O3/c1-35-26-5-3-2-4-24(26)25-18-27(30-19-29-25)31-21-8-6-20(7-9-21)28(34)32-22-10-12-23(13-11-22)33-14-16-36-17-15-33/h2-13,18-19H,14-17H2,1H3,(H,32,34)(H,29,30,31)
InChIKeyJAZIWVXWQJECOI-UHFFFAOYSA-N
XLogP4.98
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-pyrrolidin-3-ylbenzamide
CID 68915590
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
3-fluoro-4-(3-methoxy-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 59672860
N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
methyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112857139
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 16552244
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide (CID 68913236) is 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide is COc1ccccc1-c1cc(Nc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)ncn1.
What is the InChIKey of 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is JAZIWVXWQJECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-35-26-5-3-2-4-24(26)25-18-27(30-19-29-25)31-21-8-6-20(7-9-21)28(34)32-22-10-12-23(13-11-22)33-14-16-36-17-15-33/h2-13,18-19H,14-17H2,1H3,(H,32,34)(H,29,30,31).
What are the key properties of 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide?
4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 481.56 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 68913236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).