N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide

C21H22N4O4 — CID 109265747

IUPACN-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cc(Nc2ncc(C(=O)Nc3ccc(C)cc3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-13-5-7-15(8-6-13)24-20(26)14-11-22-21(23-12-14)25-16-9-17(27-2)19(29-4)18(10-16)28-3/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyPFNGKLKIVVQJIL-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.81
Rot. Bonds7

About N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide

N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109265747) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109265747
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cc(Nc2ncc(C(=O)Nc3ccc(C)cc3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-13-5-7-15(8-6-13)24-20(26)14-11-22-21(23-12-14)25-16-9-17(27-2)19(29-4)18(10-16)28-3/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyPFNGKLKIVVQJIL-UHFFFAOYSA-N
XLogP3.81
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109290089
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269995
N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826585
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
N-cyclohexyl-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109250436

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide (CID 109265747) is N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide is COc1cc(Nc2ncc(C(=O)Nc3ccc(C)cc3)cn2)cc(OC)c1OC.
What is the InChIKey of N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is PFNGKLKIVVQJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-5-7-15(8-6-13)24-20(26)14-11-22-21(23-12-14)25-16-9-17(27-2)19(29-4)18(10-16)28-3/h5-12H,1-4H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide?
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).