N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine

C12H9Cl2FN4 — CID 167015222

IUPACN-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2Cl)c2c1CCN2
InChIInChI=1S/C12H9Cl2FN4/c13-7-5-17-12(14)19-11(7)18-9-2-1-8(15)6-3-4-16-10(6)9/h1-2,5,16H,3-4H2,(H,17,18,19)
InChIKeyRUVGJFNRRSPRJQ-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.63
Rot. Bonds2

About N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine

N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine (PubChem CID 167015222) has the molecular formula C12H9Cl2FN4 and a molecular weight of 299.14 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine
PubChem CID167015222
Molecular FormulaC12H9Cl2FN4
Molecular Weight299.14 g/mol
Exact Mass298.02
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2Cl)c2c1CCN2
InChIInChI=1S/C12H9Cl2FN4/c13-7-5-17-12(14)19-11(7)18-9-2-1-8(15)6-3-4-16-10(6)9/h1-2,5,16H,3-4H2,(H,17,18,19)
InChIKeyRUVGJFNRRSPRJQ-UHFFFAOYSA-N
XLogP3.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine (CID 167015222) is N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine is Fc1ccc(Nc2nc(Cl)ncc2Cl)c2c1CCN2.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine?
The InChIKey is RUVGJFNRRSPRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN4/c13-7-5-17-12(14)19-11(7)18-9-2-1-8(15)6-3-4-16-10(6)9/h1-2,5,16H,3-4H2,(H,17,18,19).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine?
N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine has a molecular weight of 299.14 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-4-fluoro-2,3-dihydro-1H-indol-7-amine is sourced from PubChem (CID 167015222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).