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

C22H24N4O3 — CID 109372823

IUPAC6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)Nc3ccc(C)cc3)nc(C)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-5-8-17(9-6-14)26-22(27)18-12-21(25-15(2)24-18)23-13-16-7-10-19(28-3)20(11-16)29-4/h5-12H,13H2,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyONOIETLITSNKTR-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.98
Rot. Bonds7

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

6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109372823) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109372823
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)Nc3ccc(C)cc3)nc(C)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-5-8-17(9-6-14)26-22(27)18-12-21(25-15(2)24-18)23-13-16-7-10-19(28-3)20(11-16)29-4/h5-12H,13H2,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyONOIETLITSNKTR-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109364849
N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371042
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361212
6-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370528
N-(3,4-dimethoxyphenyl)-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849092
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
N-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367956
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361248
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848932

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109372823) is 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is COc1ccc(CNc2cc(C(=O)Nc3ccc(C)cc3)nc(C)n2)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ONOIETLITSNKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-5-8-17(9-6-14)26-22(27)18-12-21(25-15(2)24-18)23-13-16-7-10-19(28-3)20(11-16)29-4/h5-12H,13H2,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).