N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide

C16H19BrN4O — CID 109332691

IUPACN-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Br)nc(NC(C)(C)C)n1
InChIInChI=1S/C16H19BrN4O/c1-10-9-13(20-15(18-10)21-16(2,3)4)14(22)19-12-8-6-5-7-11(12)17/h5-9H,1-4H3,(H,19,22)(H,18,20,21)
InChIKeyDCUUUJLVAWVXCM-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.01
Rot. Bonds3

About N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide

N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332691) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332691
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Br)nc(NC(C)(C)C)n1
InChIInChI=1S/C16H19BrN4O/c1-10-9-13(20-15(18-10)21-16(2,3)4)14(22)19-12-8-6-5-7-11(12)17/h5-9H,1-4H3,(H,19,22)(H,18,20,21)
InChIKeyDCUUUJLVAWVXCM-UHFFFAOYSA-N
XLogP4.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-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

methyl 2-[[2-(tert-butylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109332675
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323995
4-N-(2-bromophenyl)-2-N-tert-butyl-6-methylpyrimidine-2,4-diamine
CID 112924833
N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109287425
methyl 4-[[2-(tert-butylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109332677
2-hydrazinyl-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 114220571
N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108807886
2-hydrazinyl-N-(2-iodophenyl)-6-methylpyrimidine-4-carboxamide
CID 114220575
2-(2-bromoanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321144
N-(2-tert-butylphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336679
N-(2-bromo-4-methylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320194
2-(2-bromoanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325154

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide (CID 109332691) is N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2Br)nc(NC(C)(C)C)n1.
What is the InChIKey of N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is DCUUUJLVAWVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10-9-13(20-15(18-10)21-16(2,3)4)14(22)19-12-8-6-5-7-11(12)17/h5-9H,1-4H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide?
N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(tert-butylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).