2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine

C6H9F2N5 — CID 126979201

IUPAC2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCC(F)F)n1
InChIInChI=1S/C6H9F2N5/c1-3-11-5(9)13-6(12-3)10-2-4(7)8/h4H,2H2,1H3,(H3,9,10,11,12,13)
InChIKeyJISLVOKWVADUCM-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.44
Rot. Bonds3

About 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine

2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 126979201) has the molecular formula C6H9F2N5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID126979201
Molecular FormulaC6H9F2N5
Molecular Weight189.17 g/mol
Exact Mass189.08
IUPAC Name2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCC(F)F)n1
InChIInChI=1S/C6H9F2N5/c1-3-11-5(9)13-6(12-3)10-2-4(7)8/h4H,2H2,1H3,(H3,9,10,11,12,13)
InChIKeyJISLVOKWVADUCM-UHFFFAOYSA-N
XLogP0.44
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
s-Triazine, 2-amino-4-methyl-6-(trifluoromethyl)-
CID 168866
s-Triazine, 2-methyl-4-methylamino-6-(trifluoromethyl)-
CID 3041947
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968
s-Triazine, 2-amino-4-isopropylamino-6-trifluoromethyl-
CID 3041987
N~2~,N~4~,6-Trimethyl-1,3,5-triazine-2,4-diamine
CID 16085
4,6-Bis(ethylamino)-1,3,5-triazine-2-carbonitrile
CID 30245
N,4,6-Trimethyl-1,3,5-triazin-2-amine
CID 20658992

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine (CID 126979201) is 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NCC(F)F)n1.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JISLVOKWVADUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N5/c1-3-11-5(9)13-6(12-3)10-2-4(7)8/h4H,2H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 189.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 126979201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).