prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C14H15N3O3 — CID 23912859

IUPACprop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESC=CCOC(=O)C1=C(C)NC(=O)NC1c1ccccn1
InChIInChI=1S/C14H15N3O3/c1-3-8-20-13(18)11-9(2)16-14(19)17-12(11)10-6-4-5-7-15-10/h3-7,12H,1,8H2,2H3,(H2,16,17,19)
InChIKeyBWPDFQIBMVUPNQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.44
Rot. Bonds4

About prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 23912859) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID23912859
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameprop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESC=CCOC(=O)C1=C(C)NC(=O)NC1c1ccccn1
InChIInChI=1S/C14H15N3O3/c1-3-8-20-13(18)11-9(2)16-14(19)17-12(11)10-6-4-5-7-15-10/h3-7,12H,1,8H2,2H3,(H2,16,17,19)
InChIKeyBWPDFQIBMVUPNQ-UHFFFAOYSA-N
XLogP1.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 23912859) is prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccccn1.
What is the InChIKey of prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is BWPDFQIBMVUPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-8-20-13(18)11-9(2)16-14(19)17-12(11)10-6-4-5-7-15-10/h3-7,12H,1,8H2,2H3,(H2,16,17,19).
What are the key properties of prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-methyl-2-oxo-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 23912859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).