6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine

C15H22FN5 — CID 176530661

IUPAC6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine
SMILESC=CCNC1=NC(N(CC=C)CC=C)=NC(F)(CC=C)N1
InChIInChI=1S/C15H22FN5/c1-5-9-15(16)19-13(17-10-6-2)18-14(20-15)21(11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,17,18,19,20)
InChIKeyITBBADZTZVZYFX-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.95
Rot. Bonds8

About 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine

6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine (PubChem CID 176530661) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine
PubChem CID176530661
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC Name6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine
SMILESC=CCNC1=NC(N(CC=C)CC=C)=NC(F)(CC=C)N1
InChIInChI=1S/C15H22FN5/c1-5-9-15(16)19-13(17-10-6-2)18-14(20-15)21(11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,17,18,19,20)
InChIKeyITBBADZTZVZYFX-UHFFFAOYSA-N
XLogP1.95
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine (CID 176530661) is 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine is C=CCNC1=NC(N(CC=C)CC=C)=NC(F)(CC=C)N1.
What is the InChIKey of 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is ITBBADZTZVZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5/c1-5-9-15(16)19-13(17-10-6-2)18-14(20-15)21(11-7-3)12-8-4/h5-8H,1-4,9-12H2,(H2,17,18,19,20).
What are the key properties of 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine?
6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 291.37 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N,4-N,4-N,6-tetrakis(prop-2-enyl)-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 176530661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).