4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine

C21H23N3O2 — CID 56862222

IUPAC4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
SMILESCOc1ncc(CN2CCOC(Cc3cccc4ccccc34)C2)cn1
InChIInChI=1S/C21H23N3O2/c1-25-21-22-12-16(13-23-21)14-24-9-10-26-19(15-24)11-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,12-13,19H,9-11,14-15H2,1H3
InChIKeySUUCQZHZJLJUDE-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.08
Rot. Bonds5

About 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine

4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine (PubChem CID 56862222) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
PubChem CID56862222
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
SMILESCOc1ncc(CN2CCOC(Cc3cccc4ccccc34)C2)cn1
InChIInChI=1S/C21H23N3O2/c1-25-21-22-12-16(13-23-21)14-24-9-10-26-19(15-24)11-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,12-13,19H,9-11,14-15H2,1H3
InChIKeySUUCQZHZJLJUDE-UHFFFAOYSA-N
XLogP3.08
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine?
The IUPAC name of 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine (CID 56862222) is 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine?
The canonical SMILES for 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine is COc1ncc(CN2CCOC(Cc3cccc4ccccc34)C2)cn1.
What is the InChIKey of 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine?
The InChIKey is SUUCQZHZJLJUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-21-22-12-16(13-23-21)14-24-9-10-26-19(15-24)11-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,12-13,19H,9-11,14-15H2,1H3.
What are the key properties of 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine?
4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine has a molecular weight of 349.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxypyrimidin-5-yl)methyl]-2-(naphthalen-1-ylmethyl)morpholine is sourced from PubChem (CID 56862222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).