5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one

C10H7ClN2O3 — CID 70554785

IUPAC5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one
SMILESO=C(Cc1[nH]c(=O)ncc1Cl)c1ccoc1
InChIInChI=1S/C10H7ClN2O3/c11-7-4-12-10(15)13-8(7)3-9(14)6-1-2-16-5-6/h1-2,4-5H,3H2,(H,12,13,15)
InChIKeyOTWVQYGHNUTPDD-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.44
Rot. Bonds3

About 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one

5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one (PubChem CID 70554785) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one
PubChem CID70554785
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one
SMILESO=C(Cc1[nH]c(=O)ncc1Cl)c1ccoc1
InChIInChI=1S/C10H7ClN2O3/c11-7-4-12-10(15)13-8(7)3-9(14)6-1-2-16-5-6/h1-2,4-5H,3H2,(H,12,13,15)
InChIKeyOTWVQYGHNUTPDD-UHFFFAOYSA-N
XLogP1.44
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one?
The IUPAC name of 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one (CID 70554785) is 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one is O=C(Cc1[nH]c(=O)ncc1Cl)c1ccoc1.
What is the InChIKey of 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one?
The InChIKey is OTWVQYGHNUTPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c11-7-4-12-10(15)13-8(7)3-9(14)6-1-2-16-5-6/h1-2,4-5H,3H2,(H,12,13,15).
What are the key properties of 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one?
5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one has a molecular weight of 238.63 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(furan-3-yl)-2-oxoethyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 70554785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).