4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine

C12H12ClFN4O — CID 105396113

IUPAC4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H12ClFN4O/c1-2-5-19-12-17-10(16-11(15)18-12)8-6-7(14)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H2,15,16,17,18)
InChIKeyGBLNXFURPVLPGC-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.70
Rot. Bonds4

About 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine

4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 105396113) has the molecular formula C12H12ClFN4O and a molecular weight of 282.71 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID105396113
Molecular FormulaC12H12ClFN4O
Molecular Weight282.71 g/mol
Exact Mass282.07
IUPAC Name4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(-c2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H12ClFN4O/c1-2-5-19-12-17-10(16-11(15)18-12)8-6-7(14)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H2,15,16,17,18)
InChIKeyGBLNXFURPVLPGC-UHFFFAOYSA-N
XLogP2.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine (CID 105396113) is 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(-c2cc(F)ccc2Cl)n1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is GBLNXFURPVLPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O/c1-2-5-19-12-17-10(16-11(15)18-12)8-6-7(14)3-4-9(8)13/h3-4,6H,2,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine?
4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 282.71 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 105396113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).