N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide

C24H22N4O2 — CID 112853916

IUPACN-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccco3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C24H22N4O2/c1-16-10-11-19(13-17(16)2)26-24(29)21-14-22(25-15-20-9-6-12-30-20)28-23(27-21)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyLDXRLIRFTBZGIQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.22
Rot. Bonds6

About N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide

N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853916) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853916
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCc3ccco3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C24H22N4O2/c1-16-10-11-19(13-17(16)2)26-24(29)21-14-22(25-15-20-9-6-12-30-20)28-23(27-21)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,26,29)(H,25,27,28)
InChIKeyLDXRLIRFTBZGIQ-UHFFFAOYSA-N
XLogP5.22
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-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

N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853925
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897
N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854465
N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853943
6-(furan-2-ylmethylamino)-2-(3-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170124
N-[3-[[6-(furan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881203
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
6-(furan-2-ylmethylamino)-2-(2-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170123

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853916) is N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCc3ccco3)nc(-c3ccccc3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is LDXRLIRFTBZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-10-11-19(13-17(16)2)26-24(29)21-14-22(25-15-20-9-6-12-30-20)28-23(27-21)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3,(H,26,29)(H,25,27,28).
What are the key properties of N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).