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

C17H20ClFN6O2 — CID 7386929

IUPACN-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H20ClFN6O2/c18-13-11-12(1-2-14(13)19)20-15-21-16(24-3-7-26-8-4-24)23-17(22-15)25-5-9-27-10-6-25/h1-2,11H,3-10H2,(H,20,21,22,23)
InChIKeyOJRPGCOIJSTJBP-UHFFFAOYSA-N
MW394.84 g/mol
LogP2.08
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 7386929) has the molecular formula C17H20ClFN6O2 and a molecular weight of 394.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID7386929
Molecular FormulaC17H20ClFN6O2
Molecular Weight394.84 g/mol
Exact Mass394.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H20ClFN6O2/c18-13-11-12(1-2-14(13)19)20-15-21-16(24-3-7-26-8-4-24)23-17(22-15)25-5-9-27-10-6-25/h1-2,11H,3-10H2,(H,20,21,22,23)
InChIKeyOJRPGCOIJSTJBP-UHFFFAOYSA-N
XLogP2.08
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 7386929) is N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Fc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is OJRPGCOIJSTJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN6O2/c18-13-11-12(1-2-14(13)19)20-15-21-16(24-3-7-26-8-4-24)23-17(22-15)25-5-9-27-10-6-25/h1-2,11H,3-10H2,(H,20,21,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 394.84 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 7386929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).