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

C13H13ClFN5O — CID 115505122

IUPAC4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccc(F)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H13ClFN5O/c14-10-7-8(15)1-2-9(10)11-17-12(16)19-13(18-11)20-3-5-21-6-4-20/h1-2,7H,3-6H2,(H2,16,17,18,19)
InChIKeyHBGCFGNWHIGPPX-UHFFFAOYSA-N
MW309.73 g/mol
LogP1.75
Rot. Bonds2

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

4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 115505122) has the molecular formula C13H13ClFN5O and a molecular weight of 309.73 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID115505122
Molecular FormulaC13H13ClFN5O
Molecular Weight309.73 g/mol
Exact Mass309.08
IUPAC Name4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccc(F)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H13ClFN5O/c14-10-7-8(15)1-2-9(10)11-17-12(16)19-13(18-11)20-3-5-21-6-4-20/h1-2,7H,3-6H2,(H2,16,17,18,19)
InChIKeyHBGCFGNWHIGPPX-UHFFFAOYSA-N
XLogP1.75
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 115505122) is 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Nc1nc(-c2ccc(F)cc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HBGCFGNWHIGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5O/c14-10-7-8(15)1-2-9(10)11-17-12(16)19-13(18-11)20-3-5-21-6-4-20/h1-2,7H,3-6H2,(H2,16,17,18,19).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 309.73 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115505122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).