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

C17H22FN5 — CID 10881593

IUPAC2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)C1Cc2ccccc2C1
InChIInChI=1S/C17H22FN5/c1-10(13-8-11-6-4-5-7-12(11)9-13)20-16-22-14(17(2,3)18)21-15(19)23-16/h4-7,10,13H,8-9H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyIFTGKXGIKRVMJW-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.87
Rot. Bonds4

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

2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 10881593) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID10881593
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)C1Cc2ccccc2C1
InChIInChI=1S/C17H22FN5/c1-10(13-8-11-6-4-5-7-12(11)9-13)20-16-22-14(17(2,3)18)21-15(19)23-16/h4-7,10,13H,8-9H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyIFTGKXGIKRVMJW-UHFFFAOYSA-N
XLogP2.87
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.87
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)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 10881593) is 2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(C(C)(C)F)n1)C1Cc2ccccc2C1.
What is the InChIKey of 2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IFTGKXGIKRVMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c1-10(13-8-11-6-4-5-7-12(11)9-13)20-16-22-14(17(2,3)18)21-15(19)23-16/h4-7,10,13H,8-9H2,1-3H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(2,3-dihydro-1H-inden-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 315.40 g/mol, XLogP of 2.87, 4 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)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10881593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).