2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide

C15H16Cl2N4O — CID 109319236

IUPAC2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H16Cl2N4O/c1-3-4-18-14(22)13-5-9(2)19-15(21-13)20-12-7-10(16)6-11(17)8-12/h5-8H,3-4H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyYZUOCHOMGDHITG-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.98
Rot. Bonds5

About 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide

2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109319236) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109319236
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C15H16Cl2N4O/c1-3-4-18-14(22)13-5-9(2)19-15(21-13)20-12-7-10(16)6-11(17)8-12/h5-8H,3-4H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyYZUOCHOMGDHITG-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319158
2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689168
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319223
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
2-(2-ethylanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319157
N-butyl-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320721
2-(butan-2-ylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319063
2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333213
2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330771
6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109319229
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide (CID 109319236) is 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(C)nc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is YZUOCHOMGDHITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-3-4-18-14(22)13-5-9(2)19-15(21-13)20-12-7-10(16)6-11(17)8-12/h5-8H,3-4H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide?
2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).