ethyl 2,4-diphenylpyrimidine-5-carboxylate

C19H16N2O2 — CID 1487223

IUPACethyl 2,4-diphenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-2-23-19(22)16-13-20-18(15-11-7-4-8-12-15)21-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyIXTIONINVUBJLO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.99
Rot. Bonds4

About ethyl 2,4-diphenylpyrimidine-5-carboxylate

ethyl 2,4-diphenylpyrimidine-5-carboxylate (PubChem CID 1487223) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 2,4-diphenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-diphenylpyrimidine-5-carboxylate
PubChem CID1487223
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Nameethyl 2,4-diphenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H16N2O2/c1-2-23-19(22)16-13-20-18(15-11-7-4-8-12-15)21-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3
InChIKeyIXTIONINVUBJLO-UHFFFAOYSA-N
XLogP3.99
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-diphenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-diphenylpyrimidine-5-carboxylate (CID 1487223) is ethyl 2,4-diphenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-diphenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-diphenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2,4-diphenylpyrimidine-5-carboxylate?
The InChIKey is IXTIONINVUBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-23-19(22)16-13-20-18(15-11-7-4-8-12-15)21-17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3.
What are the key properties of ethyl 2,4-diphenylpyrimidine-5-carboxylate?
ethyl 2,4-diphenylpyrimidine-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-diphenylpyrimidine-5-carboxylate is sourced from PubChem (CID 1487223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).