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

C17H21Cl2FN6O2 — CID 18580238

IUPACN-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H20ClFN6O2.ClH/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);1H
InChIKeyJQUVIYJLTYIEAZ-UHFFFAOYSA-N
MW431.30 g/mol
LogP2.50
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18580238) has the molecular formula C17H21Cl2FN6O2 and a molecular weight of 431.30 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18580238
Molecular FormulaC17H21Cl2FN6O2
Molecular Weight431.30 g/mol
Exact Mass430.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl
InChIInChI=1S/C17H20ClFN6O2.ClH/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);1H
InChIKeyJQUVIYJLTYIEAZ-UHFFFAOYSA-N
XLogP2.50
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydrochloride?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 18580238) is N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is JQUVIYJLTYIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN6O2.ClH/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);1H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(3-chloro-4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 431.30 g/mol, XLogP of 2.50, 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;hydrochloride is sourced from PubChem (CID 18580238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).