2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine

C19H19N3O2 — CID 56878637

IUPAC2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine
SMILESCOc1ccc2cc(C3CN(c4ncccn4)CCO3)ccc2c1
InChIInChI=1S/C19H19N3O2/c1-23-17-6-5-14-11-16(4-3-15(14)12-17)18-13-22(9-10-24-18)19-20-7-2-8-21-19/h2-8,11-12,18H,9-10,13H2,1H3
InChIKeyQHVYSWOSECEPIU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.22
Rot. Bonds3

About 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine

2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine (PubChem CID 56878637) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine
PubChem CID56878637
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine
SMILESCOc1ccc2cc(C3CN(c4ncccn4)CCO3)ccc2c1
InChIInChI=1S/C19H19N3O2/c1-23-17-6-5-14-11-16(4-3-15(14)12-17)18-13-22(9-10-24-18)19-20-7-2-8-21-19/h2-8,11-12,18H,9-10,13H2,1H3
InChIKeyQHVYSWOSECEPIU-UHFFFAOYSA-N
XLogP3.22
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine (CID 56878637) is 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine is COc1ccc2cc(C3CN(c4ncccn4)CCO3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine?
The InChIKey is QHVYSWOSECEPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-17-6-5-14-11-16(4-3-15(14)12-17)18-13-22(9-10-24-18)19-20-7-2-8-21-19/h2-8,11-12,18H,9-10,13H2,1H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine?
2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine has a molecular weight of 321.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-4-pyrimidin-2-ylmorpholine is sourced from PubChem (CID 56878637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).