ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate

C16H20N2O5 — CID 651878

IUPACethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1
InChIInChI=1S/C16H20N2O5/c1-5-23-15(19)14-9(2)13(17-16(20)18-14)11-7-6-10(21-3)8-12(11)22-4/h6-8,13H,5H2,1-4H3,(H2,17,18,20)
InChIKeyKPNKNMIOQBVBSD-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.89
Rot. Bonds5

About ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate

ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (PubChem CID 651878) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
PubChem CID651878
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1
InChIInChI=1S/C16H20N2O5/c1-5-23-15(19)14-9(2)13(17-16(20)18-14)11-7-6-10(21-3)8-12(11)22-4/h6-8,13H,5H2,1-4H3,(H2,17,18,20)
InChIKeyKPNKNMIOQBVBSD-UHFFFAOYSA-N
XLogP1.89
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate (CID 651878) is ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1.
What is the InChIKey of ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
The InChIKey is KPNKNMIOQBVBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-5-23-15(19)14-9(2)13(17-16(20)18-14)11-7-6-10(21-3)8-12(11)22-4/h6-8,13H,5H2,1-4H3,(H2,17,18,20).
What are the key properties of ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate?
ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 651878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).