2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

C17H22FN5 — CID 58590410

IUPAC2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)c2c(c1)C(Nc1nc(N)nc(C(C)F)n1)CCC2
InChIInChI=1S/C17H22FN5/c1-9-7-10(2)12-5-4-6-14(13(12)8-9)20-17-22-15(11(3)18)21-16(19)23-17/h7-8,11,14H,4-6H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyITNMLCGSHMGFHC-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.59
Rot. Bonds3

About 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 58590410) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID58590410
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)c2c(c1)C(Nc1nc(N)nc(C(C)F)n1)CCC2
InChIInChI=1S/C17H22FN5/c1-9-7-10(2)12-5-4-6-14(13(12)8-9)20-17-22-15(11(3)18)21-16(19)23-17/h7-8,11,14H,4-6H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyITNMLCGSHMGFHC-UHFFFAOYSA-N
XLogP3.59
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CID 58590410) is 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is Cc1cc(C)c2c(c1)C(Nc1nc(N)nc(C(C)F)n1)CCC2.
What is the InChIKey of 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ITNMLCGSHMGFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c1-9-7-10(2)12-5-4-6-14(13(12)8-9)20-17-22-15(11(3)18)21-16(19)23-17/h7-8,11,14H,4-6H2,1-3H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 315.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).