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

C16H20FN5 — CID 58590422

IUPAC6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(N[C@@H]2CCCc3ccccc32)n1
InChIInChI=1S/C16H20FN5/c1-16(2,17)13-20-14(18)22-15(21-13)19-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,5,7,9H2,1-2H3,(H3,18,19,20,21,22)/t12-/m1/s1
InChIKeyJTOXQKDXPQABPU-GFCCVEGCSA-N
MW301.37 g/mol
LogP3.15
Rot. Bonds3

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

6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 58590422) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID58590422
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(N[C@@H]2CCCc3ccccc32)n1
InChIInChI=1S/C16H20FN5/c1-16(2,17)13-20-14(18)22-15(21-13)19-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,5,7,9H2,1-2H3,(H3,18,19,20,21,22)/t12-/m1/s1
InChIKeyJTOXQKDXPQABPU-GFCCVEGCSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine (CID 58590422) is 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine is CC(C)(F)c1nc(N)nc(N[C@@H]2CCCc3ccccc32)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JTOXQKDXPQABPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FN5/c1-16(2,17)13-20-14(18)22-15(21-13)19-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12H,5,7,9H2,1-2H3,(H3,18,19,20,21,22)/t12-/m1/s1.
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-[(1R)-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 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58590422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).