6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C22H24N4O — CID 109368652

IUPAC6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccc3C)nc(C)n2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-14-9-10-19(16(3)11-14)26-21-12-20(24-17(4)25-21)22(27)23-13-18-8-6-5-7-15(18)2/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyWKVHXKNCUXGKQT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.38
Rot. Bonds5

About 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109368652) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109368652
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccc3C)nc(C)n2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-14-9-10-19(16(3)11-14)26-21-12-20(24-17(4)25-21)22(27)23-13-18-8-6-5-7-15(18)2/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyWKVHXKNCUXGKQT-UHFFFAOYSA-N
XLogP4.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680
6-(5-chloro-2-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368669
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368678
6-(3-acetamidoanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368688
2-methyl-N-[(2-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109368662
6-(3,4-dimethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368685
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
methyl 3-[[2-methyl-6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109368691
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109365996

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109368652) is 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3ccccc3C)nc(C)n2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is WKVHXKNCUXGKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-9-10-19(16(3)11-14)26-21-12-20(24-17(4)25-21)22(27)23-13-18-8-6-5-7-15(18)2/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109368652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).