ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate

C19H15ClN2O3 — CID 1474626

IUPACethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3/c1-2-24-19(23)16-12-21-17(13-6-4-3-5-7-13)22-18(16)25-15-10-8-14(20)9-11-15/h3-12H,2H2,1H3
InChIKeyQZAXQFNVGRXOQZ-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.77
Rot. Bonds5

About ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate

ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate (PubChem CID 1474626) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate
PubChem CID1474626
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Nameethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN2O3/c1-2-24-19(23)16-12-21-17(13-6-4-3-5-7-13)22-18(16)25-15-10-8-14(20)9-11-15/h3-12H,2H2,1H3
InChIKeyQZAXQFNVGRXOQZ-UHFFFAOYSA-N
XLogP4.77
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate (CID 1474626) is ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1.
What is the InChIKey of ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate?
The InChIKey is QZAXQFNVGRXOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-2-24-19(23)16-12-21-17(13-6-4-3-5-7-13)22-18(16)25-15-10-8-14(20)9-11-15/h3-12H,2H2,1H3.
What are the key properties of ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate?
ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate has a molecular weight of 354.79 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chlorophenoxy)-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 1474626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).