5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

C20H20N4O — CID 56722948

IUPAC5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
SMILESCc1cccc(OC2CN(Cc3cnc(-c4ccccn4)nc3)C2)c1
InChIInChI=1S/C20H20N4O/c1-15-5-4-6-17(9-15)25-18-13-24(14-18)12-16-10-22-20(23-11-16)19-7-2-3-8-21-19/h2-11,18H,12-14H2,1H3
InChIKeyQQDJOIMQHCJQMN-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.11
Rot. Bonds5

About 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine (PubChem CID 56722948) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
PubChem CID56722948
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
SMILESCc1cccc(OC2CN(Cc3cnc(-c4ccccn4)nc3)C2)c1
InChIInChI=1S/C20H20N4O/c1-15-5-4-6-17(9-15)25-18-13-24(14-18)12-16-10-22-20(23-11-16)19-7-2-3-8-21-19/h2-11,18H,12-14H2,1H3
InChIKeyQQDJOIMQHCJQMN-UHFFFAOYSA-N
XLogP3.11
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine (CID 56722948) is 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine is Cc1cccc(OC2CN(Cc3cnc(-c4ccccn4)nc3)C2)c1.
What is the InChIKey of 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The InChIKey is QQDJOIMQHCJQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-5-4-6-17(9-15)25-18-13-24(14-18)12-16-10-22-20(23-11-16)19-7-2-3-8-21-19/h2-11,18H,12-14H2,1H3.
What are the key properties of 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine has a molecular weight of 332.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 56722948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).