2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine

C16H18N2O3 — CID 126772483

IUPAC2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine
SMILESc1cnc(Oc2cccc(OCCC3CCCO3)c2)nc1
InChIInChI=1S/C16H18N2O3/c1-4-14(20-11-7-13-6-2-10-19-13)12-15(5-1)21-16-17-8-3-9-18-16/h1,3-5,8-9,12-13H,2,6-7,10-11H2
InChIKeyBAPBYZSNJKTIAT-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.22
Rot. Bonds6

About 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine

2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine (PubChem CID 126772483) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine.

Molecular Properties

Compound Name2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine
PubChem CID126772483
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine
SMILESc1cnc(Oc2cccc(OCCC3CCCO3)c2)nc1
InChIInChI=1S/C16H18N2O3/c1-4-14(20-11-7-13-6-2-10-19-13)12-15(5-1)21-16-17-8-3-9-18-16/h1,3-5,8-9,12-13H,2,6-7,10-11H2
InChIKeyBAPBYZSNJKTIAT-UHFFFAOYSA-N
XLogP3.22
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
CID 65163188
1-(oxolan-2-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]methanamine
CID 17213568
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
5-[2-(oxolan-2-yl)ethoxy]-1H-indole
CID 80643511
N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
N'-ethyl-N'-(oxolan-2-ylmethyl)-N-(3-pyrimidin-2-yloxyphenyl)oxamide
CID 166231436
3-bromo-5-[2-(oxolan-2-yl)ethoxy]pyridine
CID 65160795
trifluoro-[2-methyl-4-[2-(oxolan-2-yl)ethoxy]phenyl]boranuide
CID 83140518
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
2-[3-(3-propan-2-ylphenoxy)propyl]oxane
CID 123154741
2-[2-(3-bromophenoxy)ethoxymethyl]oxolane
CID 54970515
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164633

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine?
The IUPAC name of 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine (CID 126772483) is 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine.
What is the SMILES notation for 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine?
The canonical SMILES for 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine is c1cnc(Oc2cccc(OCCC3CCCO3)c2)nc1.
What is the InChIKey of 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine?
The InChIKey is BAPBYZSNJKTIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-14(20-11-7-13-6-2-10-19-13)12-15(5-1)21-16-17-8-3-9-18-16/h1,3-5,8-9,12-13H,2,6-7,10-11H2.
What are the key properties of 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine?
2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine has a molecular weight of 286.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(oxolan-2-yl)ethoxy]phenoxy]pyrimidine is sourced from PubChem (CID 126772483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).