ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate

C16H20N2O3 — CID 2818116

IUPACethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-5-21-15(19)13-11(2)17(3)16(20)18(4)14(13)12-9-7-6-8-10-12/h6-10,14H,5H2,1-4H3
InChIKeyGEKSXCGZMRSDHW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.56
Rot. Bonds3

About ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate

ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate (PubChem CID 2818116) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
PubChem CID2818116
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-5-21-15(19)13-11(2)17(3)16(20)18(4)14(13)12-9-7-6-8-10-12/h6-10,14H,5H2,1-4H3
InChIKeyGEKSXCGZMRSDHW-UHFFFAOYSA-N
XLogP2.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate (CID 2818116) is ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(C)C(=O)N(C)C1c1ccccc1.
What is the InChIKey of ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate?
The InChIKey is GEKSXCGZMRSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-5-21-15(19)13-11(2)17(3)16(20)18(4)14(13)12-9-7-6-8-10-12/h6-10,14H,5H2,1-4H3.
What are the key properties of ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate?
ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3,6-trimethyl-2-oxo-4-phenyl-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2818116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).