4,6-diethoxy-2-phenylpyrimidine

C14H16N2O2 — CID 817517

IUPAC4,6-diethoxy-2-phenylpyrimidine
SMILESCCOc1cc(OCC)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-3-17-12-10-13(18-4-2)16-14(15-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyWGVMROQOKPEOAP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.94
Rot. Bonds5

About 4,6-diethoxy-2-phenylpyrimidine

4,6-diethoxy-2-phenylpyrimidine (PubChem CID 817517) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4,6-diethoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4,6-diethoxy-2-phenylpyrimidine
PubChem CID817517
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4,6-diethoxy-2-phenylpyrimidine
SMILESCCOc1cc(OCC)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16N2O2/c1-3-17-12-10-13(18-4-2)16-14(15-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyWGVMROQOKPEOAP-UHFFFAOYSA-N
XLogP2.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-2-phenylpyrimidine?
The IUPAC name of 4,6-diethoxy-2-phenylpyrimidine (CID 817517) is 4,6-diethoxy-2-phenylpyrimidine.
What is the SMILES notation for 4,6-diethoxy-2-phenylpyrimidine?
The canonical SMILES for 4,6-diethoxy-2-phenylpyrimidine is CCOc1cc(OCC)nc(-c2ccccc2)n1.
What is the InChIKey of 4,6-diethoxy-2-phenylpyrimidine?
The InChIKey is WGVMROQOKPEOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-17-12-10-13(18-4-2)16-14(15-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 4,6-diethoxy-2-phenylpyrimidine?
4,6-diethoxy-2-phenylpyrimidine has a molecular weight of 244.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxy-2-phenylpyrimidine is sourced from PubChem (CID 817517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).