6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine

C16H19FN4 — CID 103504481

IUPAC6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCc3ccc(F)cc32)c1C
InChIInChI=1S/C16H19FN4/c1-3-7-18-15-11(2)16(20-10-19-15)21-8-6-12-4-5-13(17)9-14(12)21/h4-5,9-10H,3,6-8H2,1-2H3,(H,18,19,20)
InChIKeyLODRLMDBSNTZHQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.44
Rot. Bonds4

About 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine

6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 103504481) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID103504481
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCc3ccc(F)cc32)c1C
InChIInChI=1S/C16H19FN4/c1-3-7-18-15-11(2)16(20-10-19-15)21-8-6-12-4-5-13(17)9-14(12)21/h4-5,9-10H,3,6-8H2,1-2H3,(H,18,19,20)
InChIKeyLODRLMDBSNTZHQ-UHFFFAOYSA-N
XLogP3.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80749716
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80751574
6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 103504467
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 103499268
N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 103502844
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 103502864
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80835703
6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292
5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 103502310
1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501441
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine (CID 103504481) is 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCc3ccc(F)cc32)c1C.
What is the InChIKey of 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is LODRLMDBSNTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-3-7-18-15-11(2)16(20-10-19-15)21-8-6-12-4-5-13(17)9-14(12)21/h4-5,9-10H,3,6-8H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 286.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103504481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).