4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H24N4O2 — CID 2851847

IUPAC4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(N(C)C)cc2)NC(=O)N1
InChIInChI=1S/C21H24N4O2/c1-13-5-9-16(10-6-13)23-20(26)18-14(2)22-21(27)24-19(18)15-7-11-17(12-8-15)25(3)4/h5-12,19H,1-4H3,(H,23,26)(H2,22,24,27)
InChIKeyKAWWQNSQXAXNEL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.33
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2851847) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2851847
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(N(C)C)cc2)NC(=O)N1
InChIInChI=1S/C21H24N4O2/c1-13-5-9-16(10-6-13)23-20(26)18-14(2)22-21(27)24-19(18)15-7-11-17(12-8-15)25(3)4/h5-12,19H,1-4H3,(H,23,26)(H2,22,24,27)
InChIKeyKAWWQNSQXAXNEL-UHFFFAOYSA-N
XLogP3.33
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2851847) is 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(N(C)C)cc2)NC(=O)N1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is KAWWQNSQXAXNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-5-9-16(10-6-13)23-20(26)18-14(2)22-21(27)24-19(18)15-7-11-17(12-8-15)25(3)4/h5-12,19H,1-4H3,(H,23,26)(H2,22,24,27).
What are the key properties of 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2851847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).