4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine

C9H10F6N4 — CID 174944900

IUPAC4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine
SMILESC[C@H](c1nc(N)nc([C@@H](C)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H10F6N4/c1-3(8(10,11)12)5-17-6(19-7(16)18-5)4(2)9(13,14)15/h3-4H,1-2H3,(H2,16,17,18,19)/t3-,4-/m1/s1
InChIKeyIFIJKIDFTTWBPW-QWWZWVQMSA-N
MW288.20 g/mol
LogP2.79
Rot. Bonds2

About 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine

4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine (PubChem CID 174944900) has the molecular formula C9H10F6N4 and a molecular weight of 288.20 g/mol. Its IUPAC name is 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine
PubChem CID174944900
Molecular FormulaC9H10F6N4
Molecular Weight288.20 g/mol
Exact Mass288.08
IUPAC Name4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine
SMILESC[C@H](c1nc(N)nc([C@@H](C)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H10F6N4/c1-3(8(10,11)12)5-17-6(19-7(16)18-5)4(2)9(13,14)15/h3-4H,1-2H3,(H2,16,17,18,19)/t3-,4-/m1/s1
InChIKeyIFIJKIDFTTWBPW-QWWZWVQMSA-N
XLogP2.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine (CID 174944900) is 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine is C[C@H](c1nc(N)nc([C@@H](C)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine?
The InChIKey is IFIJKIDFTTWBPW-QWWZWVQMSA-N. The full InChI is InChI=1S/C9H10F6N4/c1-3(8(10,11)12)5-17-6(19-7(16)18-5)4(2)9(13,14)15/h3-4H,1-2H3,(H2,16,17,18,19)/t3-,4-/m1/s1.
What are the key properties of 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine?
4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine has a molecular weight of 288.20 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 174944900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).