4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine

C13H15BrN4O — CID 79843232

IUPAC4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCc1cc(Br)cc(N)c1Oc1ccnc(N(C)C)n1
InChIInChI=1S/C13H15BrN4O/c1-8-6-9(14)7-10(15)12(8)19-11-4-5-16-13(17-11)18(2)3/h4-7H,15H2,1-3H3
InChIKeyVUEVAQXTQWEPFV-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.99
Rot. Bonds3

About 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine

4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine (PubChem CID 79843232) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
PubChem CID79843232
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCc1cc(Br)cc(N)c1Oc1ccnc(N(C)C)n1
InChIInChI=1S/C13H15BrN4O/c1-8-6-9(14)7-10(15)12(8)19-11-4-5-16-13(17-11)18(2)3/h4-7H,15H2,1-3H3
InChIKeyVUEVAQXTQWEPFV-UHFFFAOYSA-N
XLogP2.99
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine (CID 79843232) is 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine is Cc1cc(Br)cc(N)c1Oc1ccnc(N(C)C)n1.
What is the InChIKey of 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is VUEVAQXTQWEPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8-6-9(14)7-10(15)12(8)19-11-4-5-16-13(17-11)18(2)3/h4-7H,15H2,1-3H3.
What are the key properties of 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine?
4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 323.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-bromo-6-methylphenoxy)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 79843232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).