N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide

C21H22N4O3 — CID 109315415

IUPACN-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3cccc(C)c3C)n2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-13-6-5-7-16(14(13)2)24-21-22-11-10-17(25-21)20(26)23-15-8-9-18(27-3)19(12-15)28-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyXFAHOKWHWJCOIH-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.11
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315415) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109315415
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3cccc(C)c3C)n2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-13-6-5-7-16(14(13)2)24-21-22-11-10-17(25-21)20(26)23-15-8-9-18(27-3)19(12-15)28-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyXFAHOKWHWJCOIH-UHFFFAOYSA-N
XLogP4.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
2-(2,5-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315480
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109309861
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109318102
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315471
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318088

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide (CID 109315415) is N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Nc3cccc(C)c3C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is XFAHOKWHWJCOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-6-5-7-16(14(13)2)24-21-22-11-10-17(25-21)20(26)23-15-8-9-18(27-3)19(12-15)28-4/h5-12H,1-4H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).