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

C12H11FN4 — CID 103493914

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CCc3ccc(F)cc32)nc1
InChIInChI=1S/C12H11FN4/c13-9-2-1-8-3-4-17(11(8)5-9)12-15-6-10(14)7-16-12/h1-2,5-7H,3-4,14H2
InChIKeyBDMDTWWNSMMTEO-UHFFFAOYSA-N
MW230.25 g/mol
LogP1.89
Rot. Bonds1

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

2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine (PubChem CID 103493914) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
PubChem CID103493914
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CCc3ccc(F)cc32)nc1
InChIInChI=1S/C12H11FN4/c13-9-2-1-8-3-4-17(11(8)5-9)12-15-6-10(14)7-16-12/h1-2,5-7H,3-4,14H2
InChIKeyBDMDTWWNSMMTEO-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
CID 103503850
[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 103502911
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
CID 107545455
2-[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]ethanamine
CID 103503861
6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
CID 103495649
[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 103498498
4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 103496498
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 103504462
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136750424

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine (CID 103493914) is 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine is Nc1cnc(N2CCc3ccc(F)cc32)nc1.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The InChIKey is BDMDTWWNSMMTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c13-9-2-1-8-3-4-17(11(8)5-9)12-15-6-10(14)7-16-12/h1-2,5-7H,3-4,14H2.
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine?
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine has a molecular weight of 230.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 103493914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).