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

C22H24N4O3 — CID 109304602

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)NCc3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)13-24-21(27)18-10-11-23-22(26-18)25-14-17-8-9-19(28-2)20(12-17)29-3/h4-12H,13-14H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyPQBIIQMLAGGTJT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.34
Rot. Bonds8

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

2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109304602) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109304602
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2nccc(C(=O)NCc3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)13-24-21(27)18-10-11-23-22(26-18)25-14-17-8-9-19(28-2)20(12-17)29-3/h4-12H,13-14H2,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyPQBIIQMLAGGTJT-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

N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109309895
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450
2-(2-methoxyethylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109299616
2-(cyclopentylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109297894
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409
2-(4-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309907
2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109309877
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109309861
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307040
2-[(3,4-dimethoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300914
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306011

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109304602) is 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is COc1ccc(CNc2nccc(C(=O)NCc3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is PQBIIQMLAGGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-4-6-16(7-5-15)13-24-21(27)18-10-11-23-22(26-18)25-14-17-8-9-19(28-2)20(12-17)29-3/h4-12H,13-14H2,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-[(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 2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).