2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

C16H20FN5 — CID 58590448

IUPAC2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)C(Nc1nc(N)nc(C(C)F)n1)C(C)C2
InChIInChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyYFONKFDEZLYQDH-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.14
Rot. Bonds3

About 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 58590448) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID58590448
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc2c(c1)C(Nc1nc(N)nc(C(C)F)n1)C(C)C2
InChIInChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyYFONKFDEZLYQDH-UHFFFAOYSA-N
XLogP3.14
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CID 58590448) is 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is Cc1ccc2c(c1)C(Nc1nc(N)nc(C(C)F)n1)C(C)C2.
What is the InChIKey of 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YFONKFDEZLYQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-8-4-5-11-7-9(2)13(12(11)6-8)19-16-21-14(10(3)17)20-15(18)22-16/h4-6,9-10,13H,7H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 301.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).