(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone

C15H14BrN3O — CID 56788362

IUPAC(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncncc1C(=O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C15H14BrN3O/c1-2-13-12(8-17-9-18-13)15(20)19-6-5-10-3-4-11(16)7-14(10)19/h3-4,7-9H,2,5-6H2,1H3
InChIKeyVTHYMUVNQIQQFY-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.00
Rot. Bonds2

About (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone

(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone (PubChem CID 56788362) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone
PubChem CID56788362
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncncc1C(=O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C15H14BrN3O/c1-2-13-12(8-17-9-18-13)15(20)19-6-5-10-3-4-11(16)7-14(10)19/h3-4,7-9H,2,5-6H2,1H3
InChIKeyVTHYMUVNQIQQFY-UHFFFAOYSA-N
XLogP3.00
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone?
The IUPAC name of (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone (CID 56788362) is (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone.
What is the SMILES notation for (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone?
The canonical SMILES for (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone is CCc1ncncc1C(=O)N1CCc2ccc(Br)cc21.
What is the InChIKey of (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone?
The InChIKey is VTHYMUVNQIQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-2-13-12(8-17-9-18-13)15(20)19-6-5-10-3-4-11(16)7-14(10)19/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone?
(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone has a molecular weight of 332.20 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56788362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).