4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide

C20H20N4O3 — CID 143053420

IUPAC4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide
SMILESCOc1cc(OC)nc(Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-13-4-8-15(9-5-13)21-19(25)14-6-10-16(11-7-14)22-20-23-17(26-2)12-18(24-20)27-3/h4-12H,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyPHBJHOLALFIRRY-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.80
Rot. Bonds6

About 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide

4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide (PubChem CID 143053420) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide
PubChem CID143053420
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide
SMILESCOc1cc(OC)nc(Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-13-4-8-15(9-5-13)21-19(25)14-6-10-16(11-7-14)22-20-23-17(26-2)12-18(24-20)27-3/h4-12H,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyPHBJHOLALFIRRY-UHFFFAOYSA-N
XLogP3.80
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[6-methyl-2-(4-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109335103
methyl 4-[[4-methyl-6-[(4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109335183
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205198
4-chloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090463
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
3-methoxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzamide
CID 44826839
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzamide
CID 122296113
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[4-[[(6S)-6-tert-butyl-1-oxa-2-azacyclohex-2-en-4-yn-3-yl]carbamoyl]phenyl]-3-[(4,6-dimethoxypyrimidin-2-yl)amino]benzamide
CID 143052994

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide (CID 143053420) is 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide is COc1cc(OC)nc(Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide?
The InChIKey is PHBJHOLALFIRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-4-8-15(9-5-13)21-19(25)14-6-10-16(11-7-14)22-20-23-17(26-2)12-18(24-20)27-3/h4-12H,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide?
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 143053420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).