3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol

C17H22N6O3 — CID 1113672

IUPAC3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol
SMILESOc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H22N6O3/c24-14-3-1-2-13(12-14)18-15-19-16(22-4-8-25-9-5-22)21-17(20-15)23-6-10-26-11-7-23/h1-3,12,24H,4-11H2,(H,18,19,20,21)
InChIKeyZHKSHBSAJCOKAP-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.99
Rot. Bonds4

About 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol

3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol (PubChem CID 1113672) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol.

Molecular Properties

Compound Name3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol
PubChem CID1113672
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol
SMILESOc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C17H22N6O3/c24-14-3-1-2-13(12-14)18-15-19-16(22-4-8-25-9-5-22)21-17(20-15)23-6-10-26-11-7-23/h1-3,12,24H,4-11H2,(H,18,19,20,21)
InChIKeyZHKSHBSAJCOKAP-UHFFFAOYSA-N
XLogP0.99
TPSA95.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol?
The IUPAC name of 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol (CID 1113672) is 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol.
What is the SMILES notation for 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol?
The canonical SMILES for 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol is Oc1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol?
The InChIKey is ZHKSHBSAJCOKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c24-14-3-1-2-13(12-14)18-15-19-16(22-4-8-25-9-5-22)21-17(20-15)23-6-10-26-11-7-23/h1-3,12,24H,4-11H2,(H,18,19,20,21).
What are the key properties of 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol?
3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol has a molecular weight of 358.40 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenol is sourced from PubChem (CID 1113672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).