6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine

C7H10F3N5 — CID 140663821

IUPAC6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC[C@@H](c1nc(N)nc(N)n1)C(F)(F)F
InChIInChI=1S/C7H10F3N5/c1-2-3(7(8,9)10)4-13-5(11)15-6(12)14-4/h3H,2H2,1H3,(H4,11,12,13,14,15)/t3-/m0/s1
InChIKeyNSBMPYLNZRBOGD-VKHMYHEASA-N
MW221.19 g/mol
LogP1.09
Rot. Bonds2

About 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine

6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 140663821) has the molecular formula C7H10F3N5 and a molecular weight of 221.19 g/mol. Its IUPAC name is 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID140663821
Molecular FormulaC7H10F3N5
Molecular Weight221.19 g/mol
Exact Mass221.09
IUPAC Name6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC[C@@H](c1nc(N)nc(N)n1)C(F)(F)F
InChIInChI=1S/C7H10F3N5/c1-2-3(7(8,9)10)4-13-5(11)15-6(12)14-4/h3H,2H2,1H3,(H4,11,12,13,14,15)/t3-/m0/s1
InChIKeyNSBMPYLNZRBOGD-VKHMYHEASA-N
XLogP1.09
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-Methylethyl)-1,3,5-triazine-2,4-diamine
CID 21498
6-Ethyl-1,3,5-triazine-2,4-diamine
CID 13628
6-Propyl-1,3,5-triazine-2,4-diamine
CID 22252
6-Cyclopropyl-1,3,5-triazine-2,4(1H,3H)-diimine
CID 212661
4-Chloro-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 11446828
4-Methyl-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 45092657
6-(1-Fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 101880615
4-Chloro-6-isopropyl-1,3,5-triazin-2-amine
CID 11116532
1,3,5-Triazine-2,4-diamine, 6-(1-methylpropyl)-
CID 34917
4-Chloro-6-(1-fluoropropyl)-1,3,5-triazin-2-amine
CID 12040789
6-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 14512633
6-(2,2,3,3,3-Pentafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512634

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine (CID 140663821) is 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine is CC[C@@H](c1nc(N)nc(N)n1)C(F)(F)F.
What is the InChIKey of 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is NSBMPYLNZRBOGD-VKHMYHEASA-N. The full InChI is InChI=1S/C7H10F3N5/c1-2-3(7(8,9)10)4-13-5(11)15-6(12)14-4/h3H,2H2,1H3,(H4,11,12,13,14,15)/t3-/m0/s1.
What are the key properties of 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine?
6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 221.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 140663821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).