4,6-diethoxypyrimidine

C8H12N2O2 — CID 13492145

IUPAC4,6-diethoxypyrimidine
SMILESCCOc1cc(OCC)ncn1
InChIInChI=1S/C8H12N2O2/c1-3-11-7-5-8(12-4-2)10-6-9-7/h5-6H,3-4H2,1-2H3
InChIKeyWFUDIWSUZYDRST-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.27
Rot. Bonds4

About 4,6-diethoxypyrimidine

4,6-diethoxypyrimidine (PubChem CID 13492145) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4,6-diethoxypyrimidine.

Molecular Properties

Compound Name4,6-diethoxypyrimidine
PubChem CID13492145
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4,6-diethoxypyrimidine
SMILESCCOc1cc(OCC)ncn1
InChIInChI=1S/C8H12N2O2/c1-3-11-7-5-8(12-4-2)10-6-9-7/h5-6H,3-4H2,1-2H3
InChIKeyWFUDIWSUZYDRST-UHFFFAOYSA-N
XLogP1.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxypyrimidine?
The IUPAC name of 4,6-diethoxypyrimidine (CID 13492145) is 4,6-diethoxypyrimidine.
What is the SMILES notation for 4,6-diethoxypyrimidine?
The canonical SMILES for 4,6-diethoxypyrimidine is CCOc1cc(OCC)ncn1.
What is the InChIKey of 4,6-diethoxypyrimidine?
The InChIKey is WFUDIWSUZYDRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-11-7-5-8(12-4-2)10-6-9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,6-diethoxypyrimidine?
4,6-diethoxypyrimidine has a molecular weight of 168.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxypyrimidine is sourced from PubChem (CID 13492145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).