5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine

C11H9BrN4O2 — CID 66304278

IUPAC5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1-c1ncc(Br)c(N)n1
InChIInChI=1S/C11H9BrN4O2/c1-6-2-3-7(16(17)18)4-8(6)11-14-5-9(12)10(13)15-11/h2-5H,1H3,(H2,13,14,15)
InChIKeyWIUPQZROIJONRT-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.70
Rot. Bonds2

About 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine

5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine (PubChem CID 66304278) has the molecular formula C11H9BrN4O2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
PubChem CID66304278
Molecular FormulaC11H9BrN4O2
Molecular Weight309.12 g/mol
Exact Mass307.99
IUPAC Name5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
SMILESCc1ccc([N+](=O)[O-])cc1-c1ncc(Br)c(N)n1
InChIInChI=1S/C11H9BrN4O2/c1-6-2-3-7(16(17)18)4-8(6)11-14-5-9(12)10(13)15-11/h2-5H,1H3,(H2,13,14,15)
InChIKeyWIUPQZROIJONRT-UHFFFAOYSA-N
XLogP2.70
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine 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-bromo-2-(2-methyl-5-nitrophenyl)pyrimidine-4-carboxylic acid
CID 106512151
(1S)-1-[4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 103431949
5-(1-chloroethyl)-4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62771216
3-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazol-5-amine
CID 62469803
[2-(2-methyl-5-nitrophenyl)pyrimidin-4-yl]hydrazine
CID 62250526
1-[2-(2-methyl-5-nitrophenyl)pyrimidin-5-yl]butan-2-amine
CID 62758102
4,6-dichloro-5-iodo-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 66314762
5-(2-methyl-5-nitrophenyl)pyrimidine
CID 23503692
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
4-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 110453851
2-chloro-6-(2-methyl-5-nitrophenyl)pyrazine
CID 168929606
3-chloro-5-(2-methyl-5-nitrophenyl)-1,2,4-oxadiazole
CID 112571859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine (CID 66304278) is 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine is Cc1ccc([N+](=O)[O-])cc1-c1ncc(Br)c(N)n1.
What is the InChIKey of 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
The InChIKey is WIUPQZROIJONRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2/c1-6-2-3-7(16(17)18)4-8(6)11-14-5-9(12)10(13)15-11/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine?
5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine has a molecular weight of 309.12 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 66304278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).