4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine

C13H12BrFN4O — CID 58221893

IUPAC4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine
SMILESCOc1cc(Br)cc2c1CCN2c1nc(N)ncc1F
InChIInChI=1S/C13H12BrFN4O/c1-20-11-5-7(14)4-10-8(11)2-3-19(10)12-9(15)6-17-13(16)18-12/h4-6H,2-3H2,1H3,(H2,16,17,18)
InChIKeyBALKTENQLPHWTJ-UHFFFAOYSA-N
MW339.17 g/mol
LogP2.66
Rot. Bonds2

About 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine

4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine (PubChem CID 58221893) has the molecular formula C13H12BrFN4O and a molecular weight of 339.17 g/mol. Its IUPAC name is 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine
PubChem CID58221893
Molecular FormulaC13H12BrFN4O
Molecular Weight339.17 g/mol
Exact Mass338.02
IUPAC Name4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine
SMILESCOc1cc(Br)cc2c1CCN2c1nc(N)ncc1F
InChIInChI=1S/C13H12BrFN4O/c1-20-11-5-7(14)4-10-8(11)2-3-19(10)12-9(15)6-17-13(16)18-12/h4-6H,2-3H2,1H3,(H2,16,17,18)
InChIKeyBALKTENQLPHWTJ-UHFFFAOYSA-N
XLogP2.66
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-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-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine (CID 58221893) is 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine is COc1cc(Br)cc2c1CCN2c1nc(N)ncc1F.
What is the InChIKey of 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is BALKTENQLPHWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O/c1-20-11-5-7(14)4-10-8(11)2-3-19(10)12-9(15)6-17-13(16)18-12/h4-6H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine?
4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 339.17 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-4-methoxy-2,3-dihydroindol-1-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 58221893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).