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

C20H18N2O4 — CID 1474631

IUPACethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(OC)cc1
InChIInChI=1S/C20H18N2O4/c1-3-25-20(23)17-13-21-18(14-7-5-4-6-8-14)22-19(17)26-16-11-9-15(24-2)10-12-16/h4-13H,3H2,1-2H3
InChIKeyNJCOQRLPVMVWEP-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.12
Rot. Bonds6

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

ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate (PubChem CID 1474631) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate
PubChem CID1474631
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(OC)cc1
InChIInChI=1S/C20H18N2O4/c1-3-25-20(23)17-13-21-18(14-7-5-4-6-8-14)22-19(17)26-16-11-9-15(24-2)10-12-16/h4-13H,3H2,1-2H3
InChIKeyNJCOQRLPVMVWEP-UHFFFAOYSA-N
XLogP4.12
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate (CID 1474631) is ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate?
The InChIKey is NJCOQRLPVMVWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-25-20(23)17-13-21-18(14-7-5-4-6-8-14)22-19(17)26-16-11-9-15(24-2)10-12-16/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate?
ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenoxy)-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 1474631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).