cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C14H16N2O3S — CID 162664587

IUPACcyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCC2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C14H16N2O3S/c1-8-11(13(17)19-9-4-2-5-9)12(16-14(18)15-8)10-6-3-7-20-10/h3,6-7,9,12H,2,4-5H2,1H3,(H2,15,16,18)
InChIKeyUELBKVDVVZKUIF-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.47
Rot. Bonds3

About cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 162664587) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID162664587
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namecyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCC2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C14H16N2O3S/c1-8-11(13(17)19-9-4-2-5-9)12(16-14(18)15-8)10-6-3-7-20-10/h3,6-7,9,12H,2,4-5H2,1H3,(H2,15,16,18)
InChIKeyUELBKVDVVZKUIF-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 162664587) is cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC2CCC2)C(c2cccs2)NC(=O)N1.
What is the InChIKey of cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is UELBKVDVVZKUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-11(13(17)19-9-4-2-5-9)12(16-14(18)15-8)10-6-3-7-20-10/h3,6-7,9,12H,2,4-5H2,1H3,(H2,15,16,18).
What are the key properties of cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 162664587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).