2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine

C7H12FN5 — CID 12611

IUPAC2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(F)nc(NCC)n1
InChIInChI=1S/C7H12FN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyIAOIUQIYUMWLMM-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.87
Rot. Bonds4

About 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine

2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine (PubChem CID 12611) has the molecular formula C7H12FN5 and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
PubChem CID12611
Molecular FormulaC7H12FN5
Molecular Weight185.21 g/mol
Exact Mass185.11
IUPAC Name2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(F)nc(NCC)n1
InChIInChI=1S/C7H12FN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyIAOIUQIYUMWLMM-UHFFFAOYSA-N
XLogP0.87
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N,4-N-diethyl-6-fluoro-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

Simazine
CID 5216
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Simeton
CID 12654
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
2,4-Diamino-6-diethylamino-1,3,5-triazine
CID 326489
N-Butyl-1,3,5-triazine-2,4,6-triamine
CID 197831
4,6-Dichloro-N-ethyl-1,3,5-triazin-2-amine
CID 18926
N2,N4,N6-Tripropyl-1,3,5-triazine-2,4,6-triamine
CID 11368773
1,3,5-Triazine-2,4,6-triamine, N,N'-diethyl-
CID 21816
Triethylmelamine
CID 27778
Acetonitrile, 2,2'-((6-amino-1,3,5-triazine-2,4-diyl)diimino)bis-
CID 21987

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine (CID 12611) is 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine is CCNc1nc(F)nc(NCC)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine?
The InChIKey is IAOIUQIYUMWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine has a molecular weight of 185.21 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-fluoro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).