1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione

C15H14N2O2 — CID 63811071

IUPAC1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CC#Cc2ccccc2)c1=O
InChIInChI=1S/C15H14N2O2/c1-2-16-12-10-14(18)17(15(16)19)11-6-9-13-7-4-3-5-8-13/h3-5,7-8,10,12H,2,11H2,1H3
InChIKeyJSBPUMDPORIUFD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.08
Rot. Bonds2

About 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione

1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione (PubChem CID 63811071) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione
PubChem CID63811071
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CC#Cc2ccccc2)c1=O
InChIInChI=1S/C15H14N2O2/c1-2-16-12-10-14(18)17(15(16)19)11-6-9-13-7-4-3-5-8-13/h3-5,7-8,10,12H,2,11H2,1H3
InChIKeyJSBPUMDPORIUFD-UHFFFAOYSA-N
XLogP1.08
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione (CID 63811071) is 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione is CCn1ccc(=O)n(CC#Cc2ccccc2)c1=O.
What is the InChIKey of 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione?
The InChIKey is JSBPUMDPORIUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-2-16-12-10-14(18)17(15(16)19)11-6-9-13-7-4-3-5-8-13/h3-5,7-8,10,12H,2,11H2,1H3.
What are the key properties of 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione?
1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-phenylprop-2-ynyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63811071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).