N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C17H21FN6O2 — CID 1074706

IUPACN-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H21FN6O2/c18-13-2-1-3-14(12-13)19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24/h1-3,12H,4-11H2,(H,19,20,21,22)
InChIKeyRUPKFUIDMWDBFV-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.43
Rot. Bonds4

About N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1074706) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1074706
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC NameN-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H21FN6O2/c18-13-2-1-3-14(12-13)19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24/h1-3,12H,4-11H2,(H,19,20,21,22)
InChIKeyRUPKFUIDMWDBFV-UHFFFAOYSA-N
XLogP1.43
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 1074706) is N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Fc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RUPKFUIDMWDBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c18-13-2-1-3-14(12-13)19-15-20-16(23-4-8-25-9-5-23)22-17(21-15)24-6-10-26-11-7-24/h1-3,12H,4-11H2,(H,19,20,21,22).
What are the key properties of N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 360.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1074706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).