5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one

C10H7ClN2O3 — CID 12791244

IUPAC5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cc(Cl)cnc1=O)c1ccoc1
InChIInChI=1S/C10H7ClN2O3/c11-8-3-12-10(15)13(4-8)5-9(14)7-1-2-16-6-7/h1-4,6H,5H2
InChIKeyUVJDYVJPVBHYSL-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.37
Rot. Bonds3

About 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one

5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 12791244) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one
PubChem CID12791244
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cc(Cl)cnc1=O)c1ccoc1
InChIInChI=1S/C10H7ClN2O3/c11-8-3-12-10(15)13(4-8)5-9(14)7-1-2-16-6-7/h1-4,6H,5H2
InChIKeyUVJDYVJPVBHYSL-UHFFFAOYSA-N
XLogP1.37
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one (CID 12791244) is 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cc(Cl)cnc1=O)c1ccoc1.
What is the InChIKey of 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is UVJDYVJPVBHYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-8-3-12-10(15)13(4-8)5-9(14)7-1-2-16-6-7/h1-4,6H,5H2.
What are the key properties of 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one?
5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 238.63 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(furan-3-yl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 12791244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).