6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine

C7H12FN5 — CID 130532843

IUPAC6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NCCF)n1
InChIInChI=1S/C7H12FN5/c1-2-5-11-6(9)13-7(12-5)10-4-3-8/h2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyWAQHDYLWAXXTNV-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.40
Rot. Bonds4

About 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine

6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 130532843) has the molecular formula C7H12FN5 and a molecular weight of 185.21 g/mol. Its IUPAC name is 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID130532843
Molecular FormulaC7H12FN5
Molecular Weight185.21 g/mol
Exact Mass185.11
IUPAC Name6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(N)nc(NCCF)n1
InChIInChI=1S/C7H12FN5/c1-2-5-11-6(9)13-7(12-5)10-4-3-8/h2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyWAQHDYLWAXXTNV-UHFFFAOYSA-N
XLogP0.40
TPSA76.72 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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine (CID 130532843) is 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine is CCc1nc(N)nc(NCCF)n1.
What is the InChIKey of 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WAQHDYLWAXXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN5/c1-2-5-11-6(9)13-7(12-5)10-4-3-8/h2-4H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine?
6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 185.21 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-(2-fluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).