2,4-diethoxy-5-methoxypyrimidine

C9H14N2O3 — CID 4168582

IUPAC2,4-diethoxy-5-methoxypyrimidine
SMILESCCOc1ncc(OC)c(OCC)n1
InChIInChI=1S/C9H14N2O3/c1-4-13-8-7(12-3)6-10-9(11-8)14-5-2/h6H,4-5H2,1-3H3
InChIKeyYGDREZGYBLUEGK-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.28
Rot. Bonds5

About 2,4-diethoxy-5-methoxypyrimidine

2,4-diethoxy-5-methoxypyrimidine (PubChem CID 4168582) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2,4-diethoxy-5-methoxypyrimidine.

Molecular Properties

Compound Name2,4-diethoxy-5-methoxypyrimidine
PubChem CID4168582
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2,4-diethoxy-5-methoxypyrimidine
SMILESCCOc1ncc(OC)c(OCC)n1
InChIInChI=1S/C9H14N2O3/c1-4-13-8-7(12-3)6-10-9(11-8)14-5-2/h6H,4-5H2,1-3H3
InChIKeyYGDREZGYBLUEGK-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-5-methoxypyrimidine?
The IUPAC name of 2,4-diethoxy-5-methoxypyrimidine (CID 4168582) is 2,4-diethoxy-5-methoxypyrimidine.
What is the SMILES notation for 2,4-diethoxy-5-methoxypyrimidine?
The canonical SMILES for 2,4-diethoxy-5-methoxypyrimidine is CCOc1ncc(OC)c(OCC)n1.
What is the InChIKey of 2,4-diethoxy-5-methoxypyrimidine?
The InChIKey is YGDREZGYBLUEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-13-8-7(12-3)6-10-9(11-8)14-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 2,4-diethoxy-5-methoxypyrimidine?
2,4-diethoxy-5-methoxypyrimidine has a molecular weight of 198.22 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-5-methoxypyrimidine is sourced from PubChem (CID 4168582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).