N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide

C17H20Cl2N4O — CID 109333730

IUPACN-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H20Cl2N4O/c1-4-5-8-23(3)16(24)15-9-11(2)20-17(22-15)21-14-7-6-12(18)10-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21,22)
InChIKeyYTIPTCJEACHUFK-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.71
Rot. Bonds6

About N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide

N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 109333730) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID109333730
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC NameN-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H20Cl2N4O/c1-4-5-8-23(3)16(24)15-9-11(2)20-17(22-15)21-14-7-6-12(18)10-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21,22)
InChIKeyYTIPTCJEACHUFK-UHFFFAOYSA-N
XLogP4.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-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-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
N-butyl-2-(4-ethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333659
N-butyl-N,6-dimethyl-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109333690
ethyl 2-[[4-[butyl(methyl)carbamoyl]-6-methylpyrimidin-2-yl]amino]benzoate
CID 109333738
2-(2,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320399
2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334233
2-(3-bromo-4-methylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333683
N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847113
N-butyl-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320721
N-butyl-2-(2,4-dichloroanilino)-N-methylpyridine-4-carboxamide
CID 109175552
N-butyl-N,6-dimethyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320873
2-(2,4-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319625

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide (CID 109333730) is N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is YTIPTCJEACHUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-4-5-8-23(3)16(24)15-9-11(2)20-17(22-15)21-14-7-6-12(18)10-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21,22).
What are the key properties of N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide?
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).