3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide

C14H15BrN4O — CID 107872119

IUPAC3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Br)cc(N)c2C)n1
InChIInChI=1S/C14H15BrN4O/c1-7-4-8(2)18-14(17-7)19-13(20)11-5-10(15)6-12(16)9(11)3/h4-6H,16H2,1-3H3,(H,17,18,19,20)
InChIKeyAEDJBTGJZNJYCN-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.00
Rot. Bonds2

About 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide

3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide (PubChem CID 107872119) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
PubChem CID107872119
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide
SMILESCc1cc(C)nc(NC(=O)c2cc(Br)cc(N)c2C)n1
InChIInChI=1S/C14H15BrN4O/c1-7-4-8(2)18-14(17-7)19-13(20)11-5-10(15)6-12(16)9(11)3/h4-6H,16H2,1-3H3,(H,17,18,19,20)
InChIKeyAEDJBTGJZNJYCN-UHFFFAOYSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-carboxamide
CID 62153366
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
3-amino-5-bromo-N-(3,5-dichlorophenyl)-2-methylbenzamide
CID 107872101
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
CID 107962014
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-2-methyl-N-pyrazin-2-ylbenzamide
CID 107872270
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
3-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzamide
CID 107872220
3-amino-5-bromo-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 114011357
3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
CID 107871965
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
CID 107873022

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide (CID 107872119) is 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide is Cc1cc(C)nc(NC(=O)c2cc(Br)cc(N)c2C)n1.
What is the InChIKey of 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide?
The InChIKey is AEDJBTGJZNJYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-7-4-8(2)18-14(17-7)19-13(20)11-5-10(15)6-12(16)9(11)3/h4-6H,16H2,1-3H3,(H,17,18,19,20).
What are the key properties of 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide?
3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide has a molecular weight of 335.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbenzamide is sourced from PubChem (CID 107872119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).