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

C17H22ClFN6O2 — CID 18580229

IUPACN-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21FN6O2.ClH/c18-13-1-3-14(4-2-13)19-15-20-16(23-5-9-25-10-6-23)22-17(21-15)24-7-11-26-12-8-24;/h1-4H,5-12H2,(H,19,20,21,22);1H
InChIKeyWYWYLPXNHHRSTB-UHFFFAOYSA-N
MW396.85 g/mol
LogP1.85
Rot. Bonds4

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

N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18580229) has the molecular formula C17H22ClFN6O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18580229
Molecular FormulaC17H22ClFN6O2
Molecular Weight396.85 g/mol
Exact Mass396.15
IUPAC NameN-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21FN6O2.ClH/c18-13-1-3-14(4-2-13)19-15-20-16(23-5-9-25-10-6-23)22-17(21-15)24-7-11-26-12-8-24;/h1-4H,5-12H2,(H,19,20,21,22);1H
InChIKeyWYWYLPXNHHRSTB-UHFFFAOYSA-N
XLogP1.85
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 18580229) is N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is Cl.Fc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is WYWYLPXNHHRSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2.ClH/c18-13-1-3-14(4-2-13)19-15-20-16(23-5-9-25-10-6-23)22-17(21-15)24-7-11-26-12-8-24;/h1-4H,5-12H2,(H,19,20,21,22);1H.
What are the key properties of N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 396.85 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 18580229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).