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

C18H24N2O4 — CID 2962597

IUPACethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1
InChIInChI=1S/C18H24N2O4/c1-4-9-13-15(17(21)24-6-3)16(20-18(22)19-13)12-10-7-8-11-14(12)23-5-2/h7-8,10-11,16H,4-6,9H2,1-3H3,(H2,19,20,22)
InChIKeyBVRSOXOIGGNGPQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.06
Rot. Bonds7

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

ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2962597) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2962597
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nameethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1
InChIInChI=1S/C18H24N2O4/c1-4-9-13-15(17(21)24-6-3)16(20-18(22)19-13)12-10-7-8-11-14(12)23-5-2/h7-8,10-11,16H,4-6,9H2,1-3H3,(H2,19,20,22)
InChIKeyBVRSOXOIGGNGPQ-UHFFFAOYSA-N
XLogP3.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2962597) is ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1.
What is the InChIKey of ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is BVRSOXOIGGNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-4-9-13-15(17(21)24-6-3)16(20-18(22)19-13)12-10-7-8-11-14(12)23-5-2/h7-8,10-11,16H,4-6,9H2,1-3H3,(H2,19,20,22).
What are the key properties of ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2962597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).