5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine

C13H15BrN4 — CID 113365676

IUPAC5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(C)cc2C)ncc1Br
InChIInChI=1S/C13H15BrN4/c1-4-15-12-10(14)7-17-13(18-12)11-9(3)5-8(2)6-16-11/h5-7H,4H2,1-3H3,(H,15,17,18)
InChIKeyZDIBNQCATQFRDV-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.35
Rot. Bonds3

About 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine

5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine (PubChem CID 113365676) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine
PubChem CID113365676
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ncc(C)cc2C)ncc1Br
InChIInChI=1S/C13H15BrN4/c1-4-15-12-10(14)7-17-13(18-12)11-9(3)5-8(2)6-16-11/h5-7H,4H2,1-3H3,(H,15,17,18)
InChIKeyZDIBNQCATQFRDV-UHFFFAOYSA-N
XLogP3.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine (CID 113365676) is 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine is CCNc1nc(-c2ncc(C)cc2C)ncc1Br.
What is the InChIKey of 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine?
The InChIKey is ZDIBNQCATQFRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-4-15-12-10(14)7-17-13(18-12)11-9(3)5-8(2)6-16-11/h5-7H,4H2,1-3H3,(H,15,17,18).
What are the key properties of 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine?
5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine has a molecular weight of 307.20 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-dimethyl-2-pyridinyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 113365676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).