N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide

C20H20N4O3 — CID 109266003

IUPACN-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C20H20N4O3/c1-24(15-7-5-4-6-8-15)20-21-12-14(13-22-20)19(25)23-17-11-16(26-2)9-10-18(17)27-3/h4-13H,1-3H3,(H,23,25)
InChIKeyQDFBTLYEVAFZIJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.51
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide

N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109266003) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
PubChem CID109266003
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C20H20N4O3/c1-24(15-7-5-4-6-8-15)20-21-12-14(13-22-20)19(25)23-17-11-16(26-2)9-10-18(17)27-3/h4-13H,1-3H3,(H,23,25)
InChIKeyQDFBTLYEVAFZIJ-UHFFFAOYSA-N
XLogP3.51
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
N-(2,5-dimethoxyphenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243638
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091438
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802
N-(2,5-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46797680
N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953194
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
2-N-(2,5-dimethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090853
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide (CID 109266003) is N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(N(C)c3ccccc3)nc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is QDFBTLYEVAFZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-24(15-7-5-4-6-8-15)20-21-12-14(13-22-20)19(25)23-17-11-16(26-2)9-10-18(17)27-3/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).