N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide

C19H27N5O — CID 109366778

IUPACN-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCCN(C)C)nc(C)n1
InChIInChI=1S/C19H27N5O/c1-5-24(16-10-7-6-8-11-16)18-14-17(21-15(2)22-18)19(25)20-12-9-13-23(3)4/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,20,25)
InChIKeyAMKJUEFMTGCGAT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.62
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109366778) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109366778
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCCN(C)C)nc(C)n1
InChIInChI=1S/C19H27N5O/c1-5-24(16-10-7-6-8-11-16)18-14-17(21-15(2)22-18)19(25)20-12-9-13-23(3)4/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,20,25)
InChIKeyAMKJUEFMTGCGAT-UHFFFAOYSA-N
XLogP2.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-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-[2-(dimethylamino)ethyl]-6-(N-ethyl-3-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366329
6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372149
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112870268
N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849486
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
6-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369741
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide (CID 109366778) is N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)NCCCN(C)C)nc(C)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is AMKJUEFMTGCGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-24(16-10-7-6-8-11-16)18-14-17(21-15(2)22-18)19(25)20-12-9-13-23(3)4/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,20,25).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).