4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine

C12H12ClFN4O — CID 55124272

IUPAC4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCc2ccccc2F)n1
InChIInChI=1S/C12H12ClFN4O/c1-2-19-12-17-10(13)16-11(18-12)15-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyNEDXEMPCTVAYRT-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.67
Rot. Bonds5

About 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 55124272) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID55124272
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCc2ccccc2F)n1
InChIInChI=1S/C12H12ClFN4O/c1-2-19-12-17-10(13)16-11(18-12)15-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyNEDXEMPCTVAYRT-UHFFFAOYSA-N
XLogP2.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine (CID 55124272) is 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCc2ccccc2F)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is NEDXEMPCTVAYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-2-19-12-17-10(13)16-11(18-12)15-7-8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 282.71 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).