6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine

C16H20FN5 — CID 58590380

IUPAC6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](F)c1nc(N)nc(N[C@H]2c3ccccc3CC[C@@H]2C)n1
InChIInChI=1S/C16H20FN5/c1-9-7-8-11-5-3-4-6-12(11)13(9)19-16-21-14(10(2)17)20-15(18)22-16/h3-6,9-10,13H,7-8H2,1-2H3,(H3,18,19,20,21,22)/t9-,10+,13+/m0/s1
InChIKeyZTJZCGWUTGCBGC-OPQQBVKSSA-N
MW301.37 g/mol
LogP3.22
Rot. Bonds3

About 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine

6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 58590380) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID58590380
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](F)c1nc(N)nc(N[C@H]2c3ccccc3CC[C@@H]2C)n1
InChIInChI=1S/C16H20FN5/c1-9-7-8-11-5-3-4-6-12(11)13(9)19-16-21-14(10(2)17)20-15(18)22-16/h3-6,9-10,13H,7-8H2,1-2H3,(H3,18,19,20,21,22)/t9-,10+,13+/m0/s1
InChIKeyZTJZCGWUTGCBGC-OPQQBVKSSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine (CID 58590380) is 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine is C[C@@H](F)c1nc(N)nc(N[C@H]2c3ccccc3CC[C@@H]2C)n1.
What is the InChIKey of 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZTJZCGWUTGCBGC-OPQQBVKSSA-N. The full InChI is InChI=1S/C16H20FN5/c1-9-7-8-11-5-3-4-6-12(11)13(9)19-16-21-14(10(2)17)20-15(18)22-16/h3-6,9-10,13H,7-8H2,1-2H3,(H3,18,19,20,21,22)/t9-,10+,13+/m0/s1.
What are the key properties of 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 301.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-fluoroethyl]-2-N-[(1R,2S)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).