ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate

C19H26N2O4 — CID 2906356

IUPACethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1C
InChIInChI=1S/C19H26N2O4/c1-5-10-14-16(18(22)25-7-3)17(20-19(23)21(14)4)13-11-8-9-12-15(13)24-6-2/h8-9,11-12,17H,5-7,10H2,1-4H3,(H,20,23)
InChIKeyPWQHQIVBBHXLLJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.40
Rot. Bonds7

About ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate

ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 2906356) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID2906356
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1C
InChIInChI=1S/C19H26N2O4/c1-5-10-14-16(18(22)25-7-3)17(20-19(23)21(14)4)13-11-8-9-12-15(13)24-6-2/h8-9,11-12,17H,5-7,10H2,1-4H3,(H,20,23)
InChIKeyPWQHQIVBBHXLLJ-UHFFFAOYSA-N
XLogP3.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate (CID 2906356) is ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate is CCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1C.
What is the InChIKey of ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is PWQHQIVBBHXLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-10-14-16(18(22)25-7-3)17(20-19(23)21(14)4)13-11-8-9-12-15(13)24-6-2/h8-9,11-12,17H,5-7,10H2,1-4H3,(H,20,23).
What are the key properties of ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate?
ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-ethoxyphenyl)-3-methyl-2-oxo-4-propyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 2906356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).