N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

C23H26N4O — CID 109332465

IUPACN-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C)nc(NCCCc3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O/c1-16-11-12-17(2)20(14-16)26-22(28)21-15-18(3)25-23(27-21)24-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyWVQLFUCIYPFPRH-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.70
Rot. Bonds7

About N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109332465) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109332465
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C)nc(NCCCc3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O/c1-16-11-12-17(2)20(14-16)26-22(28)21-15-18(3)25-23(27-21)24-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H,26,28)(H,24,25,27)
InChIKeyWVQLFUCIYPFPRH-UHFFFAOYSA-N
XLogP4.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318959
2-[3-(dimethylamino)propylamino]-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109325473
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902
N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109322833
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330692
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392
2-(butylamino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109320503
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109329174

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109332465) is N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(C)nc(NCCCc3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is WVQLFUCIYPFPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-11-12-17(2)20(14-16)26-22(28)21-15-18(3)25-23(27-21)24-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109332465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).