ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate

C19H16N2O3 — CID 1474625

IUPACethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccccc1
InChIInChI=1S/C19H16N2O3/c1-2-23-19(22)16-13-20-17(14-9-5-3-6-10-14)21-18(16)24-15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyYXRZPWSCYIXPDK-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.11
Rot. Bonds5

About ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate

ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate (PubChem CID 1474625) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate
PubChem CID1474625
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Nameethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccccc1
InChIInChI=1S/C19H16N2O3/c1-2-23-19(22)16-13-20-17(14-9-5-3-6-10-14)21-18(16)24-15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyYXRZPWSCYIXPDK-UHFFFAOYSA-N
XLogP4.11
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate (CID 1474625) is ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccccc1.
What is the InChIKey of ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate?
The InChIKey is YXRZPWSCYIXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-23-19(22)16-13-20-17(14-9-5-3-6-10-14)21-18(16)24-15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate?
ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenoxy-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 1474625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).