2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine

C20H20N2O2 — CID 90655456

IUPAC2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine
SMILESCOc1cccc(CCc2ccccc2OCc2ncccn2)c1
InChIInChI=1S/C20H20N2O2/c1-23-18-8-4-6-16(14-18)10-11-17-7-2-3-9-19(17)24-15-20-21-12-5-13-22-20/h2-9,12-14H,10-11,15H2,1H3
InChIKeyDPFBQXKYZZZMDA-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.85
Rot. Bonds7

About 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine

2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine (PubChem CID 90655456) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine.

Molecular Properties

Compound Name2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine
PubChem CID90655456
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine
SMILESCOc1cccc(CCc2ccccc2OCc2ncccn2)c1
InChIInChI=1S/C20H20N2O2/c1-23-18-8-4-6-16(14-18)10-11-17-7-2-3-9-19(17)24-15-20-21-12-5-13-22-20/h2-9,12-14H,10-11,15H2,1H3
InChIKeyDPFBQXKYZZZMDA-UHFFFAOYSA-N
XLogP3.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine?
The IUPAC name of 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine (CID 90655456) is 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine.
What is the SMILES notation for 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine?
The canonical SMILES for 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine is COc1cccc(CCc2ccccc2OCc2ncccn2)c1.
What is the InChIKey of 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine?
The InChIKey is DPFBQXKYZZZMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-23-18-8-4-6-16(14-18)10-11-17-7-2-3-9-19(17)24-15-20-21-12-5-13-22-20/h2-9,12-14H,10-11,15H2,1H3.
What are the key properties of 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine?
2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine has a molecular weight of 320.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrimidine is sourced from PubChem (CID 90655456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).