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

C11H15FN8 — CID 21303873

IUPACN-(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCc1nc(C)nc(NCCNc2nc(C)nc(F)n2)n1
InChIInChI=1S/C11H15FN8/c1-6-15-7(2)18-10(17-6)13-4-5-14-11-19-8(3)16-9(12)20-11/h4-5H2,1-3H3,(H,13,15,17,18)(H,14,16,19,20)
InChIKeyLSZCWKXFUVBGLM-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.64
Rot. Bonds5

About 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

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 (PubChem CID 21303873) has the molecular formula C11H15FN8 and a molecular weight of 278.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
PubChem CID21303873
Molecular FormulaC11H15FN8
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC NameN-(4,6-dimethyl-1,3,5-triazin-2-yl)-N'-(4-fluoro-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCc1nc(C)nc(NCCNc2nc(C)nc(F)n2)n1
InChIInChI=1S/C11H15FN8/c1-6-15-7(2)18-10(17-6)13-4-5-14-11-19-8(3)16-9(12)20-11/h4-5H2,1-3H3,(H,13,15,17,18)(H,14,16,19,20)
InChIKeyLSZCWKXFUVBGLM-UHFFFAOYSA-N
XLogP0.64
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)nc(NCCNc2nc(C)nc(F)n2)n1.
What is the InChIKey of 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?
The InChIKey is LSZCWKXFUVBGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN8/c1-6-15-7(2)18-10(17-6)13-4-5-14-11-19-8(3)16-9(12)20-11/h4-5H2,1-3H3,(H,13,15,17,18)(H,14,16,19,20).
What are the key properties of 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?
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 has a molecular weight of 278.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21303873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).