2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide

C16H19BrN4O — CID 109262430

IUPAC2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(Br)cc2C)nc1
InChIInChI=1S/C16H19BrN4O/c1-4-21(5-2)15(22)12-9-18-16(19-10-12)20-14-7-6-13(17)8-11(14)3/h6-10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyIJPOTKZBHBHOSI-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide

2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide (PubChem CID 109262430) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide
PubChem CID109262430
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(Br)cc2C)nc1
InChIInChI=1S/C16H19BrN4O/c1-4-21(5-2)15(22)12-9-18-16(19-10-12)20-14-7-6-13(17)8-11(14)3/h6-10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyIJPOTKZBHBHOSI-UHFFFAOYSA-N
XLogP3.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-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

6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262388
2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262415
N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258364
N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109262395
2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262433
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154506

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide (CID 109262430) is 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(Nc2ccc(Br)cc2C)nc1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide?
The InChIKey is IJPOTKZBHBHOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-4-21(5-2)15(22)12-9-18-16(19-10-12)20-14-7-6-13(17)8-11(14)3/h6-10H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide?
2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).