4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride

C18H22ClF3N6O3 — CID 16800054

IUPAC4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H21F3N6O3.ClH/c19-18(20,21)30-14-3-1-13(2-4-14)22-15-23-16(26-5-9-28-10-6-26)25-17(24-15)27-7-11-29-12-8-27;/h1-4H,5-12H2,(H,22,23,24,25);1H
InChIKeyWHSMSXMUCCXLAL-UHFFFAOYSA-N
MW462.86 g/mol
LogP2.61
Rot. Bonds5

About 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride

4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 16800054) has the molecular formula C18H22ClF3N6O3 and a molecular weight of 462.86 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride
PubChem CID16800054
Molecular FormulaC18H22ClF3N6O3
Molecular Weight462.86 g/mol
Exact Mass462.14
IUPAC Name4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H21F3N6O3.ClH/c19-18(20,21)30-14-3-1-13(2-4-14)22-15-23-16(26-5-9-28-10-6-26)25-17(24-15)27-7-11-29-12-8-27;/h1-4H,5-12H2,(H,22,23,24,25);1H
InChIKeyWHSMSXMUCCXLAL-UHFFFAOYSA-N
XLogP2.61
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride (CID 16800054) is 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride is Cl.FC(F)(F)Oc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is WHSMSXMUCCXLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O3.ClH/c19-18(20,21)30-14-3-1-13(2-4-14)22-15-23-16(26-5-9-28-10-6-26)25-17(24-15)27-7-11-29-12-8-27;/h1-4H,5-12H2,(H,22,23,24,25);1H.
What are the key properties of 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride?
4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 462.86 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 16800054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).