4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine

C17H23N7O — CID 778083

IUPAC4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H23N7O/c1-2-4-14(5-3-1)19-15-20-16(23-8-6-18-7-9-23)22-17(21-15)24-10-12-25-13-11-24/h1-5,18H,6-13H2,(H,19,20,21,22)
InChIKeyVWXIJCRXGJVNDM-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.86
Rot. Bonds4

About 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine

4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine (PubChem CID 778083) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
PubChem CID778083
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H23N7O/c1-2-4-14(5-3-1)19-15-20-16(23-8-6-18-7-9-23)22-17(21-15)24-10-12-25-13-11-24/h1-5,18H,6-13H2,(H,19,20,21,22)
InChIKeyVWXIJCRXGJVNDM-UHFFFAOYSA-N
XLogP0.86
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine (CID 778083) is 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine is c1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VWXIJCRXGJVNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-4-14(5-3-1)19-15-20-16(23-8-6-18-7-9-23)22-17(21-15)24-10-12-25-13-11-24/h1-5,18H,6-13H2,(H,19,20,21,22).
What are the key properties of 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine?
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 778083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).