2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine

C17H22N2O5 — CID 19801415

IUPAC2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
SMILESCCOC(OCC)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C17H22N2O5/c1-5-22-16(23-6-2)12-9-7-8-10-13(12)24-17-18-14(20-3)11-15(19-17)21-4/h7-11,16H,5-6H2,1-4H3
InChIKeyJLFBEKOZBHMKMT-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.36
Rot. Bonds9

About 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine

2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine (PubChem CID 19801415) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
PubChem CID19801415
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
SMILESCCOC(OCC)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C17H22N2O5/c1-5-22-16(23-6-2)12-9-7-8-10-13(12)24-17-18-14(20-3)11-15(19-17)21-4/h7-11,16H,5-6H2,1-4H3
InChIKeyJLFBEKOZBHMKMT-UHFFFAOYSA-N
XLogP3.36
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801417
sodium [2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-hydroxymethanesulfonate
CID 134126170
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
CID 67916512
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate
CID 141043320
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250
2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine
CID 141092576
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
CID 52934007

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine?
The IUPAC name of 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine (CID 19801415) is 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine is CCOC(OCC)c1ccccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine?
The InChIKey is JLFBEKOZBHMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-5-22-16(23-6-2)12-9-7-8-10-13(12)24-17-18-14(20-3)11-15(19-17)21-4/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine?
2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine has a molecular weight of 334.37 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine is sourced from PubChem (CID 19801415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).