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

C18H22N2O4 — CID 91110319

IUPACcyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=NC(=O)NC(c2cccc(O)c2)C1C(=O)OC1CCCC1
InChIInChI=1S/C18H22N2O4/c1-2-14-15(17(22)24-13-8-3-4-9-13)16(20-18(23)19-14)11-6-5-7-12(21)10-11/h5-7,10,13,15-16,21H,2-4,8-9H2,1H3,(H,20,23)
InChIKeyFICLHVMAMONWBL-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.11
Rot. Bonds4

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

cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 91110319) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID91110319
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namecyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=NC(=O)NC(c2cccc(O)c2)C1C(=O)OC1CCCC1
InChIInChI=1S/C18H22N2O4/c1-2-14-15(17(22)24-13-8-3-4-9-13)16(20-18(23)19-14)11-6-5-7-12(21)10-11/h5-7,10,13,15-16,21H,2-4,8-9H2,1H3,(H,20,23)
InChIKeyFICLHVMAMONWBL-UHFFFAOYSA-N
XLogP3.11
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 91110319) is cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCC1=NC(=O)NC(c2cccc(O)c2)C1C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is FICLHVMAMONWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-14-15(17(22)24-13-8-3-4-9-13)16(20-18(23)19-14)11-6-5-7-12(21)10-11/h5-7,10,13,15-16,21H,2-4,8-9H2,1H3,(H,20,23).
What are the key properties of cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 91110319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).