N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109309895

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(Nc3cc(C)ccc3C)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-5-6-15(2)18(11-14)26-22-23-10-9-17(25-22)21(27)24-13-16-7-8-19(28-3)20(12-16)29-4/h5-12H,13H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyLRPLSGPXYZRSMJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.78
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109309895) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109309895
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(Nc3cc(C)ccc3C)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-5-6-15(2)18(11-14)26-22-23-10-9-17(25-22)21(27)24-13-16-7-8-19(28-3)20(12-16)29-4/h5-12H,13H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyLRPLSGPXYZRSMJ-UHFFFAOYSA-N
XLogP3.78
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-5-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304398
2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304602
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109352464
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129
2-(2,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109307362
2-(4-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309907
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906
2-(cyclopentylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109297894
2-(2,5-dimethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311869
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109310878
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide (CID 109309895) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2ccnc(Nc3cc(C)ccc3C)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is LRPLSGPXYZRSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-5-6-15(2)18(11-14)26-22-23-10-9-17(25-22)21(27)24-13-16-7-8-19(28-3)20(12-16)29-4/h5-12H,13H2,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).