2,4-diphenoxypyrimidine

C16H12N2O2 — CID 3008436

IUPAC2,4-diphenoxypyrimidine
SMILESc1ccc(Oc2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C16H12N2O2/c1-3-7-13(8-4-1)19-15-11-12-17-16(18-15)20-14-9-5-2-6-10-14/h1-12H
InChIKeyLLUGOATVEGVYDT-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.06
Rot. Bonds4

About 2,4-diphenoxypyrimidine

2,4-diphenoxypyrimidine (PubChem CID 3008436) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2,4-diphenoxypyrimidine.

Molecular Properties

Compound Name2,4-diphenoxypyrimidine
PubChem CID3008436
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2,4-diphenoxypyrimidine
SMILESc1ccc(Oc2ccnc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C16H12N2O2/c1-3-7-13(8-4-1)19-15-11-12-17-16(18-15)20-14-9-5-2-6-10-14/h1-12H
InChIKeyLLUGOATVEGVYDT-UHFFFAOYSA-N
XLogP4.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile
CID 2764393
2,4-Bis(benzyloxy)-5-bromopyrimidine
CID 256039
4-phenoxy-6-(1H-pyrazol-1-yl)pyrimidine
CID 661390
4-N-methyl-6-phenoxypyrimidine-2,4-diamine
CID 80869080
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
N,N-diethyl-6-phenoxypyrimidin-4-amine
CID 2055860
2-{[2-(4-Methoxyphenoxy)ethyl]thio}pyrimidine
CID 2183617
2-[3-(4-Methoxyphenoxy)propylsulfanyl]pyrimidine
CID 2183703
2-{[2-(4-Propoxyphenoxy)ethyl]thio}pyrimidine
CID 2199231
2-{[4-(2-Fluorophenoxy)butyl]thio}pyrimidine
CID 2200018
2-[2-(2-Phenoxyethoxy)ethylsulfanyl]pyrimidine
CID 2935739

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenoxypyrimidine?
The IUPAC name of 2,4-diphenoxypyrimidine (CID 3008436) is 2,4-diphenoxypyrimidine.
What is the SMILES notation for 2,4-diphenoxypyrimidine?
The canonical SMILES for 2,4-diphenoxypyrimidine is c1ccc(Oc2ccnc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenoxypyrimidine?
The InChIKey is LLUGOATVEGVYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-3-7-13(8-4-1)19-15-11-12-17-16(18-15)20-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,4-diphenoxypyrimidine?
2,4-diphenoxypyrimidine has a molecular weight of 264.28 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenoxypyrimidine is sourced from PubChem (CID 3008436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).