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

C22H24N4O3 — CID 109347409

IUPAC6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCc3ccc(C)cc3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)12-24-22(27)18-11-21(26-14-25-18)23-13-17-8-9-19(28-2)20(10-17)29-3/h4-11,14H,12-13H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyCPBJKCKGBMXPEJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.34
Rot. Bonds8

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

6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109347409) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109347409
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)NCc3ccc(C)cc3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)12-24-22(27)18-11-21(26-14-25-18)23-13-17-8-9-19(28-2)20(10-17)29-3/h4-11,14H,12-13H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyCPBJKCKGBMXPEJ-UHFFFAOYSA-N
XLogP3.34
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343328
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109352464
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
N-[(3,4-dimethoxyphenyl)methyl]-6-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109352465
2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304602
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109352420
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109352431
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109347409) is 6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(CNc2cc(C(=O)NCc3ccc(C)cc3)ncn2)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is CPBJKCKGBMXPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)12-24-22(27)18-11-21(26-14-25-18)23-13-17-8-9-19(28-2)20(10-17)29-3/h4-11,14H,12-13H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.34, 8 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]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).