N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H23N3O3 — CID 3707929

IUPACN-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H23N3O3/c1-12-6-5-7-17(13(12)2)23-20(25)18-14(3)22-21(26)24-19(18)15-8-10-16(27-4)11-9-15/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyBCUBXOZIRJFLPJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.58
Rot. Bonds4

About N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 3707929) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID3707929
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C21H23N3O3/c1-12-6-5-7-17(13(12)2)23-20(25)18-14(3)22-21(26)24-19(18)15-8-10-16(27-4)11-9-15/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyBCUBXOZIRJFLPJ-UHFFFAOYSA-N
XLogP3.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-methoxybenzoyl)amino]benzamide
CID 156145621
N-[1-(2,3-Dimethyl-phenylthiocarbamoyl)-piperidin-4-yl]-4-methoxy-benzamide
CID 3218725
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 2669167
3-acetamido-N-(2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 4878878
N-(3,4-dimethylphenyl)-1-(4-methoxybenzoyl)-3-piperidinamine
CID 24790277
N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 658690
5-(4-hydroxyphenyl)-1,3-dimethyl-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione
CID 659634
2-(cyclohexylcarbamoylamino)-N-(4-methoxyphenyl)benzamide
CID 1863506
2-{[(butylamino)carbonyl]amino}-N-(4-methoxyphenyl)benzamide
CID 1864779
3-Benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2887831
2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester
CID 2960655

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 3707929) is N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is BCUBXOZIRJFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12-6-5-7-17(13(12)2)23-20(25)18-14(3)22-21(26)24-19(18)15-8-10-16(27-4)11-9-15/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3707929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).