N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109352465

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(C)c(C)c3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-5-7-17(9-15(14)2)26-21-11-18(24-13-25-21)22(27)23-12-16-6-8-19(28-3)20(10-16)29-4/h5-11,13H,12H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyOTZNCMPJQNWDIT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.78
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109352465) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109352465
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccc(C)c(C)c3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-14-5-7-17(9-15(14)2)26-21-11-18(24-13-25-21)22(27)23-12-16-6-8-19(28-3)20(10-16)29-4/h5-11,13H,12H2,1-4H3,(H,23,27)(H,24,25,26)
InChIKeyOTZNCMPJQNWDIT-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

N-[(3,4-dimethoxyphenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109352464
6-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348458
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862591
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409
6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346955
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343328
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
6-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349236

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide (CID 109352465) is N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccc(C)c(C)c3)ncn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is OTZNCMPJQNWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-5-7-17(9-15(14)2)26-21-11-18(24-13-25-21)22(27)23-12-16-6-8-19(28-3)20(10-16)29-4/h5-11,13H,12H2,1-4H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)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 N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109352465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).