6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine

C6H9F2N5 — CID 130889701

IUPAC6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)(F)Cc1nc(N)nc(N)n1
InChIInChI=1S/C6H9F2N5/c1-6(7,8)2-3-11-4(9)13-5(10)12-3/h2H2,1H3,(H4,9,10,11,12,13)
InChIKeyWONHYYOFVPKHPU-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.23
Rot. Bonds2

About 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine

6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 130889701) has the molecular formula C6H9F2N5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine
PubChem CID130889701
Molecular FormulaC6H9F2N5
Molecular Weight189.17 g/mol
Exact Mass189.08
IUPAC Name6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)(F)Cc1nc(N)nc(N)n1
InChIInChI=1S/C6H9F2N5/c1-6(7,8)2-3-11-4(9)13-5(10)12-3/h2H2,1H3,(H4,9,10,11,12,13)
InChIKeyWONHYYOFVPKHPU-UHFFFAOYSA-N
XLogP0.23
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

s-Triazine, 2-amino-4-methyl-6-(trifluoromethyl)-
CID 168866
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
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
6-Pentyl-1,3,5-triazine-2,4-diamine
CID 18673
1,3,5-Triazine-2,4-diamine, 6-butyl-
CID 18602
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
2,4-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-6-methyl-1,3,5-triazine
CID 15877564
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 178327053

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine (CID 130889701) is 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine is CC(F)(F)Cc1nc(N)nc(N)n1.
What is the InChIKey of 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WONHYYOFVPKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N5/c1-6(7,8)2-3-11-4(9)13-5(10)12-3/h2H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine?
6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 189.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130889701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).