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

C20H18N2O3 — CID 1474628

IUPACethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(C)cc1
InChIInChI=1S/C20H18N2O3/c1-3-24-20(23)17-13-21-18(15-7-5-4-6-8-15)22-19(17)25-16-11-9-14(2)10-12-16/h4-13H,3H2,1-2H3
InChIKeyUFTRQACCJZGXHI-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.42
Rot. Bonds5

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

ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate (PubChem CID 1474628) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate
PubChem CID1474628
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Nameethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(C)cc1
InChIInChI=1S/C20H18N2O3/c1-3-24-20(23)17-13-21-18(15-7-5-4-6-8-15)22-19(17)25-16-11-9-14(2)10-12-16/h4-13H,3H2,1-2H3
InChIKeyUFTRQACCJZGXHI-UHFFFAOYSA-N
XLogP4.42
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate (CID 1474628) is ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(C)cc1.
What is the InChIKey of ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate?
The InChIKey is UFTRQACCJZGXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-3-24-20(23)17-13-21-18(15-7-5-4-6-8-15)22-19(17)25-16-11-9-14(2)10-12-16/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate?
ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 1474628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).