1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate

C10H14N2O3 — CID 22328645

IUPAC1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
SMILESCCCC(=O)OC(C)c1nccc(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-4-9(14)15-7(2)10-11-6-5-8(13)12-10/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeySPNXBLQIKKTAGQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.17
Rot. Bonds4

About 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate

1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate (PubChem CID 22328645) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
PubChem CID22328645
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
SMILESCCCC(=O)OC(C)c1nccc(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-4-9(14)15-7(2)10-11-6-5-8(13)12-10/h5-7H,3-4H2,1-2H3,(H,11,12,13)
InChIKeySPNXBLQIKKTAGQ-UHFFFAOYSA-N
XLogP1.17
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate (CID 22328645) is 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate is CCCC(=O)OC(C)c1nccc(=O)[nH]1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate?
The InChIKey is SPNXBLQIKKTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-4-9(14)15-7(2)10-11-6-5-8(13)12-10/h5-7H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate?
1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate has a molecular weight of 210.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate is sourced from PubChem (CID 22328645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).