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

C9H11F6N5 — CID 162453114

IUPAC2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](Nc1nc(N)nc([C@@H](C)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H11F6N5/c1-3(8(10,11)12)5-18-6(16)20-7(19-5)17-4(2)9(13,14)15/h3-4H,1-2H3,(H3,16,17,18,19,20)/t3-,4+/m1/s1
InChIKeyGYPCRJRQXOCHOL-DMTCNVIQSA-N
MW303.21 g/mol
LogP2.48
Rot. Bonds3

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

2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 162453114) has the molecular formula C9H11F6N5 and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID162453114
Molecular FormulaC9H11F6N5
Molecular Weight303.21 g/mol
Exact Mass303.09
IUPAC Name2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](Nc1nc(N)nc([C@@H](C)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H11F6N5/c1-3(8(10,11)12)5-18-6(16)20-7(19-5)17-4(2)9(13,14)15/h3-4H,1-2H3,(H3,16,17,18,19,20)/t3-,4+/m1/s1
InChIKeyGYPCRJRQXOCHOL-DMTCNVIQSA-N
XLogP2.48
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 162453114) is 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is C[C@H](Nc1nc(N)nc([C@@H](C)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GYPCRJRQXOCHOL-DMTCNVIQSA-N. The full InChI is InChI=1S/C9H11F6N5/c1-3(8(10,11)12)5-18-6(16)20-7(19-5)17-4(2)9(13,14)15/h3-4H,1-2H3,(H3,16,17,18,19,20)/t3-,4+/m1/s1.
What are the key properties of 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 303.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162453114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).