4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide

C28H33N5O3 — CID 59410492

IUPAC4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC
InChIInChI=1S/C28H33N5O3/c1-19(2)18-33(4)27(34)23-17-30-28(31-26(23)22-10-7-21(16-29)8-11-22)32(3)14-13-20-9-12-24(35-5)25(15-20)36-6/h7-12,15,17,19H,13-14,18H2,1-6H3
InChIKeyGDGSRCDETYEYPJ-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.44
Rot. Bonds10

About 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide

4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 59410492) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID59410492
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC
InChIInChI=1S/C28H33N5O3/c1-19(2)18-33(4)27(34)23-17-30-28(31-26(23)22-10-7-21(16-29)8-11-22)32(3)14-13-20-9-12-24(35-5)25(15-20)36-6/h7-12,15,17,19H,13-14,18H2,1-6H3
InChIKeyGDGSRCDETYEYPJ-UHFFFAOYSA-N
XLogP4.44
TPSA91.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7757349
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873234
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
4-cyano-N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]benzamide
CID 70065643
3-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylbenzamide
CID 38713614
2-(3,4-dimethoxyphenyl)-N,4-dimethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 134058827
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113064357
3-(4-cyanophenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]prop-2-enamide
CID 54096565
4-[2-[2-(3,4-dimethoxyphenyl)ethyl-(2-hydroxyethyl)amino]ethoxy]benzonitrile;hydrate;hydrochloride
CID 110169493
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide
CID 119790269
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N,5-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42248244
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 69472007

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 59410492) is 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide is COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC.
What is the InChIKey of 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is GDGSRCDETYEYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-19(2)18-33(4)27(34)23-17-30-28(31-26(23)22-10-7-21(16-29)8-11-22)32(3)14-13-20-9-12-24(35-5)25(15-20)36-6/h7-12,15,17,19H,13-14,18H2,1-6H3.
What are the key properties of 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide?
4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 59410492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).