6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C22H24N4O3 — CID 109368893

IUPAC6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3cccc(C)c3)nc(C)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-14-6-5-7-16(10-14)13-23-22(27)19-12-21(25-15(2)24-19)26-18-9-8-17(28-3)11-20(18)29-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyKPNJQWHUFVLCPP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.78
Rot. Bonds7

About 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109368893) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109368893
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3cccc(C)c3)nc(C)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-14-6-5-7-16(10-14)13-23-22(27)19-12-21(25-15(2)24-19)26-18-9-8-17(28-3)11-20(18)29-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyKPNJQWHUFVLCPP-UHFFFAOYSA-N
XLogP3.78
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368872
6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849211
6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371405
6-(2-methoxyethylamino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364633
6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109370459
6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370485
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745
6-(4-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370328
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109368893) is 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCc3cccc(C)c3)nc(C)n2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is KPNJQWHUFVLCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-6-5-7-16(10-14)13-23-22(27)19-12-21(25-15(2)24-19)26-18-9-8-17(28-3)11-20(18)29-4/h5-12H,13H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109368893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).