5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine

C7H10BrN3O — CID 615829

IUPAC5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1nc(N(C)C)ncc1Br
InChIInChI=1S/C7H10BrN3O/c1-11(2)7-9-4-5(8)6(10-7)12-3/h4H,1-3H3
InChIKeyIZDRPXOSXLJNPF-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.31
Rot. Bonds2

About 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine

5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine (PubChem CID 615829) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine
PubChem CID615829
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1nc(N(C)C)ncc1Br
InChIInChI=1S/C7H10BrN3O/c1-11(2)7-9-4-5(8)6(10-7)12-3/h4H,1-3H3
InChIKeyIZDRPXOSXLJNPF-UHFFFAOYSA-N
XLogP1.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-methoxy-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 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine (CID 615829) is 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine is COc1nc(N(C)C)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine?
The InChIKey is IZDRPXOSXLJNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-11(2)7-9-4-5(8)6(10-7)12-3/h4H,1-3H3.
What are the key properties of 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine?
5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine has a molecular weight of 232.08 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 615829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).