4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C16H19BrN6O2 — CID 58508212

IUPAC4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESBrc1ncccc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19BrN6O2/c17-13-12(2-1-3-18-13)14-19-15(22-4-8-24-9-5-22)21-16(20-14)23-6-10-25-11-7-23/h1-3H,4-11H2
InChIKeyCOCYCTIWDBUELW-UHFFFAOYSA-N
MW407.27 g/mol
LogP1.37
Rot. Bonds3

About 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 58508212) has the molecular formula C16H19BrN6O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID58508212
Molecular FormulaC16H19BrN6O2
Molecular Weight407.27 g/mol
Exact Mass406.08
IUPAC Name4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESBrc1ncccc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19BrN6O2/c17-13-12(2-1-3-18-13)14-19-15(22-4-8-24-9-5-22)21-16(20-14)23-6-10-25-11-7-23/h1-3H,4-11H2
InChIKeyCOCYCTIWDBUELW-UHFFFAOYSA-N
XLogP1.37
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 58508212) is 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Brc1ncccc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is COCYCTIWDBUELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6O2/c17-13-12(2-1-3-18-13)14-19-15(22-4-8-24-9-5-22)21-16(20-14)23-6-10-25-11-7-23/h1-3H,4-11H2.
What are the key properties of 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 407.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromo-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 58508212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).