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

C18H24FN5 — CID 58590413

IUPAC2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine
SMILESCCCC(F)c1nc(N)nc(NC2c3cc(C)ccc3CC2C)n1
InChIInChI=1S/C18H24FN5/c1-4-5-14(19)16-22-17(20)24-18(23-16)21-15-11(3)9-12-7-6-10(2)8-13(12)15/h6-8,11,14-15H,4-5,9H2,1-3H3,(H3,20,21,22,23,24)
InChIKeyATDWACRVTKJURQ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.92
Rot. Bonds5

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

2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 58590413) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine
PubChem CID58590413
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine
SMILESCCCC(F)c1nc(N)nc(NC2c3cc(C)ccc3CC2C)n1
InChIInChI=1S/C18H24FN5/c1-4-5-14(19)16-22-17(20)24-18(23-16)21-15-11(3)9-12-7-6-10(2)8-13(12)15/h6-8,11,14-15H,4-5,9H2,1-3H3,(H3,20,21,22,23,24)
InChIKeyATDWACRVTKJURQ-UHFFFAOYSA-N
XLogP3.92
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.92
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-fluorobutyl)-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-fluorobutyl)-1,3,5-triazine-2,4-diamine (CID 58590413) is 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-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-fluorobutyl)-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-fluorobutyl)-1,3,5-triazine-2,4-diamine is CCCC(F)c1nc(N)nc(NC2c3cc(C)ccc3CC2C)n1.
What is the InChIKey of 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ATDWACRVTKJURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-4-5-14(19)16-22-17(20)24-18(23-16)21-15-11(3)9-12-7-6-10(2)8-13(12)15/h6-8,11,14-15H,4-5,9H2,1-3H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine?
2-N-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluorobutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 329.42 g/mol, XLogP of 3.92, 5 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-fluorobutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).