4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine

C8H12F2N4 — CID 70599241

IUPAC4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(F)nc(F)n1
InChIInChI=1S/C8H12F2N4/c1-2-3-4-5-11-8-13-6(9)12-7(10)14-8/h2-5H2,1H3,(H,11,12,13,14)
InChIKeyPBCPAQKKYPYVRT-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.75
Rot. Bonds5

About 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine

4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine (PubChem CID 70599241) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine
PubChem CID70599241
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(F)nc(F)n1
InChIInChI=1S/C8H12F2N4/c1-2-3-4-5-11-8-13-6(9)12-7(10)14-8/h2-5H2,1H3,(H,11,12,13,14)
InChIKeyPBCPAQKKYPYVRT-UHFFFAOYSA-N
XLogP1.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine (CID 70599241) is 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine is CCCCCNc1nc(F)nc(F)n1.
What is the InChIKey of 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine?
The InChIKey is PBCPAQKKYPYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c1-2-3-4-5-11-8-13-6(9)12-7(10)14-8/h2-5H2,1H3,(H,11,12,13,14).
What are the key properties of 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine?
4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine has a molecular weight of 202.21 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70599241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).