N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide

C17H20Cl2N4O — CID 112847113

IUPACN-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cc(Cl)ccc2Cl)nc(C)n1
InChIInChI=1S/C17H20Cl2N4O/c1-4-5-8-23(3)17(24)15-10-16(21-11(2)20-15)22-14-9-12(18)6-7-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21,22)
InChIKeyUQZUAVVZKAUOQT-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.71
Rot. Bonds6

About N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide

N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 112847113) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID112847113
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC NameN-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cc(Cl)ccc2Cl)nc(C)n1
InChIInChI=1S/C17H20Cl2N4O/c1-4-5-8-23(3)17(24)15-10-16(21-11(2)20-15)22-14-9-12(18)6-7-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21,22)
InChIKeyUQZUAVVZKAUOQT-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

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Related Compounds

N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847072
methyl 2-[[6-[butyl(methyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112847085
N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
N-butyl-2-(2,4-dichloroanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333730
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
[6-(2,5-dichloroanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363756
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide (CID 112847113) is N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2cc(Cl)ccc2Cl)nc(C)n1.
What is the InChIKey of N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is UQZUAVVZKAUOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-4-5-8-23(3)17(24)15-10-16(21-11(2)20-15)22-14-9-12(18)6-7-13(14)19/h6-7,9-10H,4-5,8H2,1-3H3,(H,20,21,22).
What are the key properties of N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide?
N-butyl-6-(2,5-dichloroanilino)-N,2-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-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).