6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide

C27H27N5O — CID 42603313

IUPAC6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ccccc2-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H27N5O/c1-32(2)18-17-28-25-19-24(29-26(31-25)21-13-7-4-8-14-21)27(33)30-23-16-10-9-15-22(23)20-11-5-3-6-12-20/h3-16,19H,17-18H2,1-2H3,(H,30,33)(H,28,29,31)
InChIKeyLXDZOBDQBXIQGE-UHFFFAOYSA-N
MW437.55 g/mol
LogP5.04
Rot. Bonds8

About 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide (PubChem CID 42603313) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
PubChem CID42603313
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ccccc2-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H27N5O/c1-32(2)18-17-28-25-19-24(29-26(31-25)21-13-7-4-8-14-21)27(33)30-23-16-10-9-15-22(23)20-11-5-3-6-12-20/h3-16,19H,17-18H2,1-2H3,(H,30,33)(H,28,29,31)
InChIKeyLXDZOBDQBXIQGE-UHFFFAOYSA-N
XLogP5.04
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-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

6-[2-(dimethylamino)ethylamino]-N-(2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853624
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-[2-(1,3,4-thiadiazol-2-yl)phenyl]pyrimidine-4-carboxamide
CID 58148597
6-[2-(dimethylamino)ethylamino]-N-[2-(2-methylpropanoyl)phenyl]-2-phenylpyrimidine-4-carboxamide
CID 70794750
6-[2-(dimethylamino)ethylamino]-N-[2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]phenyl]-2-phenylpyrimidine-4-carboxamide
CID 58148638
3-[[2-[[6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carbonyl]amino]benzoyl]amino]propanoic acid
CID 42603279
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
N-(3,4-difluorophenyl)-6-[2-(dimethylamino)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853650
6-[3-(dimethylamino)propylamino]-N-(4-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853744
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336
6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852260

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide (CID 42603313) is 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide is CN(C)CCNc1cc(C(=O)Nc2ccccc2-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LXDZOBDQBXIQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-32(2)18-17-28-25-19-24(29-26(31-25)21-13-7-4-8-14-21)27(33)30-23-16-10-9-15-22(23)20-11-5-3-6-12-20/h3-16,19H,17-18H2,1-2H3,(H,30,33)(H,28,29,31).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-2-phenyl-N-(2-phenylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 42603313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).