4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine

C9H14N2O3 — CID 176600654

IUPAC4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine
SMILESCOCCOc1ncc(C)c(OC)n1
InChIInChI=1S/C9H14N2O3/c1-7-6-10-9(11-8(7)13-3)14-5-4-12-2/h6H,4-5H2,1-3H3
InChIKeyOEWUCVREZCPZBG-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.82
Rot. Bonds5

About 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine

4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine (PubChem CID 176600654) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine
PubChem CID176600654
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine
SMILESCOCCOc1ncc(C)c(OC)n1
InChIInChI=1S/C9H14N2O3/c1-7-6-10-9(11-8(7)13-3)14-5-4-12-2/h6H,4-5H2,1-3H3
InChIKeyOEWUCVREZCPZBG-UHFFFAOYSA-N
XLogP0.82
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethoxypyrimidine
CID 137976
Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
3-((2-Amino-5-methylpyrimidin-4-yl)oxy)-2,2-dimethylpropan-1-ol
CID 122516793
5-Iodo-2,4-dimethoxypyrimidine
CID 263416
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
5-Bromo-4-methoxypyrimidine
CID 12270081
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
Bis-Pro-5FU
CID 155118873
2,4-Diethoxypyrimidine
CID 224854
(2,4-Dimethoxypyrimidin-5-yl)boronic acid
CID 2736209
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine?
The IUPAC name of 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine (CID 176600654) is 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine?
The canonical SMILES for 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine is COCCOc1ncc(C)c(OC)n1.
What is the InChIKey of 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine?
The InChIKey is OEWUCVREZCPZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7-6-10-9(11-8(7)13-3)14-5-4-12-2/h6H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine?
4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine has a molecular weight of 198.22 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine is sourced from PubChem (CID 176600654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).