5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one

C14H13BrN4O — CID 66525133

IUPAC5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1nccc(CNC2C(=O)Nc3ccc(Br)cc32)n1
InChIInChI=1S/C14H13BrN4O/c1-8-16-5-4-10(18-8)7-17-13-11-6-9(15)2-3-12(11)19-14(13)20/h2-6,13,17H,7H2,1H3,(H,19,20)
InChIKeyKWNMUUQHKUSQGE-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.33
Rot. Bonds3

About 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one

5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 66525133) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one
PubChem CID66525133
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1nccc(CNC2C(=O)Nc3ccc(Br)cc32)n1
InChIInChI=1S/C14H13BrN4O/c1-8-16-5-4-10(18-8)7-17-13-11-6-9(15)2-3-12(11)19-14(13)20/h2-6,13,17H,7H2,1H3,(H,19,20)
InChIKeyKWNMUUQHKUSQGE-UHFFFAOYSA-N
XLogP2.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one 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-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one (CID 66525133) is 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one is Cc1nccc(CNC2C(=O)Nc3ccc(Br)cc32)n1.
What is the InChIKey of 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is KWNMUUQHKUSQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-8-16-5-4-10(18-8)7-17-13-11-6-9(15)2-3-12(11)19-14(13)20/h2-6,13,17H,7H2,1H3,(H,19,20).
What are the key properties of 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one?
5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 333.19 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-methylpyrimidin-4-yl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 66525133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).