6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine

C15H18FN5 — CID 58590444

IUPAC6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NC2CCc3cc(F)c(C)cc32)n1
InChIInChI=1S/C15H18FN5/c1-3-13-19-14(17)21-15(20-13)18-12-5-4-9-7-11(16)8(2)6-10(9)12/h6-7,12H,3-5H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyFBDFIBNIZBFUBM-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.56
Rot. Bonds3

About 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine

6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 58590444) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID58590444
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NC2CCc3cc(F)c(C)cc32)n1
InChIInChI=1S/C15H18FN5/c1-3-13-19-14(17)21-15(20-13)18-12-5-4-9-7-11(16)8(2)6-10(9)12/h6-7,12H,3-5H2,1-2H3,(H3,17,18,19,20,21)
InChIKeyFBDFIBNIZBFUBM-UHFFFAOYSA-N
XLogP2.56
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine (CID 58590444) is 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine is CCc1nc(N)nc(NC2CCc3cc(F)c(C)cc32)n1.
What is the InChIKey of 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FBDFIBNIZBFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-3-13-19-14(17)21-15(20-13)18-12-5-4-9-7-11(16)8(2)6-10(9)12/h6-7,12H,3-5H2,1-2H3,(H3,17,18,19,20,21).
What are the key properties of 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine?
6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 287.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-(5-fluoro-6-methyl-2,3-dihydro-1H-inden-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).