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

C21H21N3O3 — CID 53080300

IUPACN-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)cc1OC
InChIInChI=1S/C21H21N3O3/c1-13-5-7-15(8-6-13)20-22-12-17(14(2)23-20)21(25)24-16-9-10-18(26-3)19(11-16)27-4/h5-12H,1-4H3,(H,24,25)
InChIKeyZMIJYENIAXWZPQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.03
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 53080300) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID53080300
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)cc1OC
InChIInChI=1S/C21H21N3O3/c1-13-5-7-15(8-6-13)20-22-12-17(14(2)23-20)21(25)24-16-9-10-18(26-3)19(11-16)27-4/h5-12H,1-4H3,(H,24,25)
InChIKeyZMIJYENIAXWZPQ-UHFFFAOYSA-N
XLogP4.03
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
N-(3,4-dimethoxyphenyl)-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 20959480
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
N-(3,5-dimethoxyphenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080233
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100523566
N-(3,4-dimethoxyphenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826585
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 46111496

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide (CID 53080300) is N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ZMIJYENIAXWZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-5-7-15(8-6-13)20-22-12-17(14(2)23-20)21(25)24-16-9-10-18(26-3)19(11-16)27-4/h5-12H,1-4H3,(H,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53080300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).