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

C22H24N4O — CID 109353533

IUPACN-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NCCCc3ccccc3)ncn2)c1C
InChIInChI=1S/C22H24N4O/c1-16-8-6-12-19(17(16)2)26-22(27)20-14-21(25-15-24-20)23-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyVZJYBUTXYAFMCS-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.39
Rot. Bonds7

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

N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109353533) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109353533
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(NCCCc3ccccc3)ncn2)c1C
InChIInChI=1S/C22H24N4O/c1-16-8-6-12-19(17(16)2)26-22(27)20-14-21(25-15-24-20)23-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyVZJYBUTXYAFMCS-UHFFFAOYSA-N
XLogP4.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.39
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-(2,4-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353528
6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109353551
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
6-[(4-chlorophenyl)methylamino]-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109348709
6-(2,3-dimethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350580
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353538
6-(butylamino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109339923
N-[2-(3-chlorophenyl)ethyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353519
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
N-[(4-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348771

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109353533) is N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(NCCCc3ccccc3)ncn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is VZJYBUTXYAFMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-8-6-12-19(17(16)2)26-22(27)20-14-21(25-15-24-20)23-13-7-11-18-9-4-3-5-10-18/h3-6,8-10,12,14-15H,7,11,13H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).