6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine

C15H18FN5 — CID 103504467

IUPAC6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCc3ccc(F)cc32)nc(N)n1
InChIInChI=1S/C15H18FN5/c1-2-6-18-13-9-14(20-15(17)19-13)21-7-5-10-3-4-11(16)8-12(10)21/h3-4,8-9H,2,5-7H2,1H3,(H3,17,18,19,20)
InChIKeyWARFBEVKZSBJGA-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.71
Rot. Bonds4

About 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine

6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 103504467) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID103504467
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CCc3ccc(F)cc32)nc(N)n1
InChIInChI=1S/C15H18FN5/c1-2-6-18-13-9-14(20-15(17)19-13)21-7-5-10-3-4-11(16)8-12(10)21/h3-4,8-9H,2,5-7H2,1H3,(H3,17,18,19,20)
InChIKeyWARFBEVKZSBJGA-UHFFFAOYSA-N
XLogP2.71
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-fluoro-2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
CID 103504469
6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80939492
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 103499268
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103502851
6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 103504481
6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80762545
[2-(6-fluoro-2,3-dihydroindol-1-yl)-6-methyl-4-pyridinyl]methanol
CID 103501402
6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 67157216
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxypyridin-3-amine
CID 103493912
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole
CID 103500848
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
CID 103500895
N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103502907

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine (CID 103504467) is 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(N2CCc3ccc(F)cc32)nc(N)n1.
What is the InChIKey of 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is WARFBEVKZSBJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-2-6-18-13-9-14(20-15(17)19-13)21-7-5-10-3-4-11(16)8-12(10)21/h3-4,8-9H,2,5-7H2,1H3,(H3,17,18,19,20).
What are the key properties of 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine?
6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 287.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 103504467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).