1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione

C19H22N2O3 — CID 45270748

IUPAC1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N2O3/c1-13(2)16-17(22)20-19(23)21(12-14-8-6-7-9-14)18(16)24-15-10-4-3-5-11-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,20,22,23)
InChIKeySPVVKVQAJSKCGB-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.42
Rot. Bonds5

About 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione

1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 45270748) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID45270748
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)c1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H22N2O3/c1-13(2)16-17(22)20-19(23)21(12-14-8-6-7-9-14)18(16)24-15-10-4-3-5-11-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,20,22,23)
InChIKeySPVVKVQAJSKCGB-UHFFFAOYSA-N
XLogP3.42
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-(Cyclobutyl)methyl-5-isopropyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
CID 15957703
1-(Cyclopenten-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-isopropyl-pyrimidine-2,4-dione
CID 24739081
(E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 840199
1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-ethyl-pyrimidine-2,4-dione
CID 474595
1-(Cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylphenoxy)-5-isopropyl-pyrimidine-2,4-dione
CID 474596
1-(Cyclopentylmethyl)-6-(3,5-dimethylphenoxy)-5-isopropyl-pyrimidine-2,4-dione
CID 474602
1-[2-(Cyclopent-2-en-1-yl)ethyl]-5-isopropyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
CID 474610
1-(Cyclohexyl)methyl-5-isopropyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
CID 483486
1-(2-Cyclopent-3-en-1-ylethyl)-6-(3,5-dimethylphenoxy)-5-isopropyl-pyrimidine-2,4-dione
CID 483492
1-Benzyl-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidine-dione
CID 483497
1-(Cyclopropyl)methyl-5-ethyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
CID 483498
1-(Cyclopropyl)methyl-5-isopropyl-6-(3,5-dimethylphenoxy)-2,4-pyrimidinedione
CID 9883904

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione (CID 45270748) is 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione is CC(C)c1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is SPVVKVQAJSKCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)16-17(22)20-19(23)21(12-14-8-6-7-9-14)18(16)24-15-10-4-3-5-11-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H,20,22,23).
What are the key properties of 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione?
1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 326.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylmethyl)-6-phenoxy-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 45270748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).