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

C15H18N2O5 — CID 19801417

IUPAC2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2ccccc2C(OC)OC)n1
InChIInChI=1S/C15H18N2O5/c1-18-12-9-13(19-2)17-15(16-12)22-11-8-6-5-7-10(11)14(20-3)21-4/h5-9,14H,1-4H3
InChIKeyVNGKTLJLZQJARY-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.58
Rot. Bonds7

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

2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine (PubChem CID 19801417) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
PubChem CID19801417
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2ccccc2C(OC)OC)n1
InChIInChI=1S/C15H18N2O5/c1-18-12-9-13(19-2)17-15(16-12)22-11-8-6-5-7-10(11)14(20-3)21-4/h5-9,14H,1-4H3
InChIKeyVNGKTLJLZQJARY-UHFFFAOYSA-N
XLogP2.58
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.58
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-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801415
sodium [2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-hydroxymethanesulfonate
CID 134126170
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
4,6-dimethoxy-2-[[2-[methoxy(propan-2-yloxy)methyl]-3-pyridinyl]oxy]pyrimidine
CID 15002861
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
CID 52934007
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
CID 67916512
1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
CID 143730152
4,6-dimethoxy-2-[2-(2-nitroprop-1-enyl)phenoxy]pyrimidine
CID 67671717
2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine
CID 141092576

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine?
The IUPAC name of 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine (CID 19801417) is 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine is COc1cc(OC)nc(Oc2ccccc2C(OC)OC)n1.
What is the InChIKey of 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine?
The InChIKey is VNGKTLJLZQJARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-18-12-9-13(19-2)17-15(16-12)22-11-8-6-5-7-10(11)14(20-3)21-4/h5-9,14H,1-4H3.
What are the key properties of 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine?
2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine has a molecular weight of 306.32 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine is sourced from PubChem (CID 19801417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).