2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide

C16H19BrN4O — CID 109248979

IUPAC2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(C)cc2Br)nc1
InChIInChI=1S/C16H19BrN4O/c1-4-11(3)20-15(22)12-8-18-16(19-9-12)21-14-6-5-10(2)7-13(14)17/h5-9,11H,4H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyVVROIAUMFOQPDH-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide

2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide (PubChem CID 109248979) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
PubChem CID109248979
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(C)cc2Br)nc1
InChIInChI=1S/C16H19BrN4O/c1-4-11(3)20-15(22)12-8-18-16(19-9-12)21-14-6-5-10(2)7-13(14)17/h5-9,11H,4H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyVVROIAUMFOQPDH-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-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

5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
CID 109225275
2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246631
N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109248917
2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258637
2-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109249103
N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248625
N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270430
N-[(2R)-butan-2-yl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 93070931
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247618
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691
3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101490

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide (CID 109248979) is 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(Nc2ccc(C)cc2Br)nc1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide?
The InChIKey is VVROIAUMFOQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-4-11(3)20-15(22)12-8-18-16(19-9-12)21-14-6-5-10(2)7-13(14)17/h5-9,11H,4H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide?
2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.82, 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-butan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109248979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).