N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

C10H12F2N8 — CID 21303875

IUPACN,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCc1nc(F)nc(NCCNc2nc(C)nc(F)n2)n1
InChIInChI=1S/C10H12F2N8/c1-5-15-7(11)19-9(17-5)13-3-4-14-10-18-6(2)16-8(12)20-10/h3-4H2,1-2H3,(H,13,15,17,19)(H,14,16,18,20)
InChIKeyJIQYLCDLTLKNIS-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.48
Rot. Bonds5

About N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (PubChem CID 21303875) has the molecular formula C10H12F2N8 and a molecular weight of 282.26 g/mol. Its IUPAC name is N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
PubChem CID21303875
Molecular FormulaC10H12F2N8
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCc1nc(F)nc(NCCNc2nc(C)nc(F)n2)n1
InChIInChI=1S/C10H12F2N8/c1-5-15-7(11)19-9(17-5)13-3-4-14-10-18-6(2)16-8(12)20-10/h3-4H2,1-2H3,(H,13,15,17,19)(H,14,16,18,20)
InChIKeyJIQYLCDLTLKNIS-UHFFFAOYSA-N
XLogP0.48
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 21303873
6-(difluoromethyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 70467120
4-Piperazin-1-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 112746487
2,4-Dimethyl-6-piperazin-1-yl-1,3,5-triazine
CID 20782150
N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 21303874
N,4-dimethyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 22966752
6-[2-[2-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethylamino]ethylamino]ethyl]-1,3,5-triazine-2,4-diamine
CID 69505380
2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 126546701
4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 126546810
2-N-[2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 143099360
2,4-Dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane
CID 143584949
2,4-Dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane
CID 143584951

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (CID 21303875) is N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is Cc1nc(F)nc(NCCNc2nc(C)nc(F)n2)n1.
What is the InChIKey of N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The InChIKey is JIQYLCDLTLKNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N8/c1-5-15-7(11)19-9(17-5)13-3-4-14-10-18-6(2)16-8(12)20-10/h3-4H2,1-2H3,(H,13,15,17,19)(H,14,16,18,20).
What are the key properties of N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine has a molecular weight of 282.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 21303875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).