2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine

C18H24FN5 — CID 11336446

IUPAC2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(F)c1nc(N)nc(NC(CC)C2Cc3ccccc3C2)n1
InChIInChI=1S/C18H24FN5/c1-3-14(19)16-22-17(20)24-18(23-16)21-15(4-2)13-9-11-7-5-6-8-12(11)10-13/h5-8,13-15H,3-4,9-10H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyBFVPGPAZFKKIAT-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.48
Rot. Bonds6

About 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine

2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 11336446) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID11336446
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(F)c1nc(N)nc(NC(CC)C2Cc3ccccc3C2)n1
InChIInChI=1S/C18H24FN5/c1-3-14(19)16-22-17(20)24-18(23-16)21-15(4-2)13-9-11-7-5-6-8-12(11)10-13/h5-8,13-15H,3-4,9-10H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyBFVPGPAZFKKIAT-UHFFFAOYSA-N
XLogP3.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine (CID 11336446) is 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine is CCC(F)c1nc(N)nc(NC(CC)C2Cc3ccccc3C2)n1.
What is the InChIKey of 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BFVPGPAZFKKIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-3-14(19)16-22-17(20)24-18(23-16)21-15(4-2)13-9-11-7-5-6-8-12(11)10-13/h5-8,13-15H,3-4,9-10H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 329.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,3-dihydro-1H-inden-2-yl)propyl]-6-(1-fluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11336446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).