2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide

C15H17BrN4O — CID 109246631

IUPAC2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(C)cc2Br)nc1
InChIInChI=1S/C15H17BrN4O/c1-3-6-17-14(21)11-8-18-15(19-9-11)20-13-5-4-10(2)7-12(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyYWKNMPYAWGRXMA-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.43
Rot. Bonds5

About 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide

2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide (PubChem CID 109246631) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide
PubChem CID109246631
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(C)cc2Br)nc1
InChIInChI=1S/C15H17BrN4O/c1-3-6-17-14(21)11-8-18-15(19-9-11)20-13-5-4-10(2)7-12(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyYWKNMPYAWGRXMA-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-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

2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248979
2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258637
5-(2-bromo-4-methylanilino)-N-propylpyridine-2-carboxamide
CID 109179204
6-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153082
2-(2-bromo-4-methylanilino)-N-butylpyrimidine-4-carboxamide
CID 109296661
2-(2-bromo-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312167
5-(2-bromo-4-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272501
N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270430
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251455
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide (CID 109246631) is 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(Nc2ccc(C)cc2Br)nc1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide?
The InChIKey is YWKNMPYAWGRXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-6-17-14(21)11-8-18-15(19-9-11)20-13-5-4-10(2)7-12(13)16/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide?
2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).