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

C21H23N3O3 — CID 658690

IUPACN-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C21H23N3O3/c1-12-7-5-10-17(13(12)2)23-20(25)18-14(3)22-21(26)24-19(18)15-8-6-9-16(11-15)27-4/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyPAAJMTDERDYBJK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.58
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 658690) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID658690
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C21H23N3O3/c1-12-7-5-10-17(13(12)2)23-20(25)18-14(3)22-21(26)24-19(18)15-8-6-9-16(11-15)27-4/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26)
InChIKeyPAAJMTDERDYBJK-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

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Related Compounds

Bms-193885
CID 9960164
N-[1-(2,3-Dimethyl-phenylthiocarbamoyl)-piperidin-4-yl]-4-methoxy-benzamide
CID 3218725
N-{4-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10430816
3-Methoxy-N-[2-(4-naphthalen-1-yl-piperazin-1-yl)-ethyl]-benzamide
CID 11090403
3-Methoxy-N-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butyl]-benzamide
CID 11811808
N-cyclopropyl-2-[(3-methoxybenzoyl)amino]benzamide
CID 6460197
N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 663963
6-methoxy-3-[(4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 664029
3-[(cyclohexylamino)methyl]-6-methoxy-1H-quinolin-2-one
CID 664711
3-[(3,4-Dimethyl-phenylamino)-methyl]-6-methoxy-quinolin-2-ol
CID 939029
6-Methoxy-3-phenylaminomethyl-quinolin-2-ol
CID 942126
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 658690) is N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is PAAJMTDERDYBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-12-7-5-10-17(13(12)2)23-20(25)18-14(3)22-21(26)24-19(18)15-8-6-9-16(11-15)27-4/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-4-(3-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-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 658690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).