4-ethoxy-5-phenoxy-2-phenylpyrimidine

C18H16N2O2 — CID 824783

IUPAC4-ethoxy-5-phenoxy-2-phenylpyrimidine
SMILESCCOc1nc(-c2ccccc2)ncc1Oc1ccccc1
InChIInChI=1S/C18H16N2O2/c1-2-21-18-16(22-15-11-7-4-8-12-15)13-19-17(20-18)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyNSOSJNWBBJMQNT-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.33
Rot. Bonds5

About 4-ethoxy-5-phenoxy-2-phenylpyrimidine

4-ethoxy-5-phenoxy-2-phenylpyrimidine (PubChem CID 824783) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-ethoxy-5-phenoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4-ethoxy-5-phenoxy-2-phenylpyrimidine
PubChem CID824783
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-ethoxy-5-phenoxy-2-phenylpyrimidine
SMILESCCOc1nc(-c2ccccc2)ncc1Oc1ccccc1
InChIInChI=1S/C18H16N2O2/c1-2-21-18-16(22-15-11-7-4-8-12-15)13-19-17(20-18)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyNSOSJNWBBJMQNT-UHFFFAOYSA-N
XLogP4.33
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Pyrimidinediamine, 5-((3-methoxy-4-(phenylmethoxy)phenyl)methyl)-
CID 463124
Pyrimidine, 5-hexyl-2-[4-(nonyloxy)phenyl]-
CID 3084983
5-[[4-Methoxy-3-(phenylmethoxy)phenyl]methyl]-2,4-pyrimidinediamine
CID 11450525
5-(4-(Benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-diamine
CID 11046337
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
4,5-Dimethoxy-2-phenylpyrimidine
CID 2767862
Pyrimidine, 5-hexyl-2-[4-(pentyloxy)phenyl]-
CID 12238609
Pyrimidine, 2-[4-(heptyloxy)phenyl]-5-hexyl-
CID 12238611
5-[[3-Ethoxy-4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 11234309
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(3-methoxyphenoxy)pyrimidin-4-amine
CID 71460621
5-[[3-Methoxy-4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 463126

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-phenoxy-2-phenylpyrimidine?
The IUPAC name of 4-ethoxy-5-phenoxy-2-phenylpyrimidine (CID 824783) is 4-ethoxy-5-phenoxy-2-phenylpyrimidine.
What is the SMILES notation for 4-ethoxy-5-phenoxy-2-phenylpyrimidine?
The canonical SMILES for 4-ethoxy-5-phenoxy-2-phenylpyrimidine is CCOc1nc(-c2ccccc2)ncc1Oc1ccccc1.
What is the InChIKey of 4-ethoxy-5-phenoxy-2-phenylpyrimidine?
The InChIKey is NSOSJNWBBJMQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-21-18-16(22-15-11-7-4-8-12-15)13-19-17(20-18)14-9-5-3-6-10-14/h3-13H,2H2,1H3.
What are the key properties of 4-ethoxy-5-phenoxy-2-phenylpyrimidine?
4-ethoxy-5-phenoxy-2-phenylpyrimidine has a molecular weight of 292.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-phenoxy-2-phenylpyrimidine is sourced from PubChem (CID 824783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).