N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide

C22H23N3O4 — CID 54711752

IUPACN-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCc3ccc(C)c(C)c3)c(O)c(=O)n2C)cc1
InChIInChI=1S/C22H23N3O4/c1-13-5-6-15(11-14(13)2)12-23-21(27)18-19(26)22(28)25(3)20(24-18)16-7-9-17(29-4)10-8-16/h5-11,26H,12H2,1-4H3,(H,23,27)
InChIKeyQOJVIZQFDPRJFT-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.71
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide

N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54711752) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID54711752
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCc3ccc(C)c(C)c3)c(O)c(=O)n2C)cc1
InChIInChI=1S/C22H23N3O4/c1-13-5-6-15(11-14(13)2)12-23-21(27)18-19(26)22(28)25(3)20(24-18)16-7-9-17(29-4)10-8-16/h5-11,26H,12H2,1-4H3,(H,23,27)
InChIKeyQOJVIZQFDPRJFT-UHFFFAOYSA-N
XLogP2.71
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-pyridin-3-ylpyrimidine-4-carboxamide
CID 54679012
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712021
5-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
CID 135442643
2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54680245
1-methyl-N-(naphthalen-2-ylmethyl)-6-oxo-2-phenyl-5-sulfanyloxypyrimidine-4-carboxamide
CID 89268568
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
CID 54682039
4-amino-5-N-[(3,4-dimethylphenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395418
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-6-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 135601924
N-[(4-fluoro-3-methylphenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 54682023
N-[(3,4-dimethylphenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-oxane]-2-carboxamide
CID 54713258
N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56818575

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide (CID 54711752) is N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide is COc1ccc(-c2nc(C(=O)NCc3ccc(C)c(C)c3)c(O)c(=O)n2C)cc1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is QOJVIZQFDPRJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-5-6-15(11-14(13)2)12-23-21(27)18-19(26)22(28)25(3)20(24-18)16-7-9-17(29-4)10-8-16/h5-11,26H,12H2,1-4H3,(H,23,27).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide?
N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-5-hydroxy-2-(4-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54711752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).