1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine

C15H17FN4 — CID 103503850

IUPAC1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(N2CCc3ccc(F)cc32)nc1
InChIInChI=1S/C15H17FN4/c1-10(17)6-11-8-18-15(19-9-11)20-5-4-12-2-3-13(16)7-14(12)20/h2-3,7-10H,4-6,17H2,1H3
InChIKeyLLLFZGXGJWEXQV-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine

1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine (PubChem CID 103503850) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
PubChem CID103503850
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(N2CCc3ccc(F)cc32)nc1
InChIInChI=1S/C15H17FN4/c1-10(17)6-11-8-18-15(19-9-11)20-5-4-12-2-3-13(16)7-14(12)20/h2-3,7-10H,4-6,17H2,1H3
InChIKeyLLLFZGXGJWEXQV-UHFFFAOYSA-N
XLogP2.20
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 103502911
2-[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]ethanamine
CID 103503861
(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814
(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496718
[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 103498498
1-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80633144
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
3-(6-fluoro-2,3-dihydroindol-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 103502567
1-[5-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]propan-1-ol
CID 103498405
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 103499268
(1R)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine (CID 103503850) is 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine is CC(N)Cc1cnc(N2CCc3ccc(F)cc32)nc1.
What is the InChIKey of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is LLLFZGXGJWEXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-10(17)6-11-8-18-15(19-9-11)20-5-4-12-2-3-13(16)7-14(12)20/h2-3,7-10H,4-6,17H2,1H3.
What are the key properties of 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine?
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 272.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 103503850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).