4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one

C14H9ClN2O2 — CID 137245690

IUPAC4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(-c3ccco3)c(Cl)c2)nc[nH]1
InChIInChI=1S/C14H9ClN2O2/c15-11-6-9(12-7-14(18)17-8-16-12)3-4-10(11)13-2-1-5-19-13/h1-8H,(H,16,17,18)
InChIKeyUWUOIICPJDFDIP-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.35
Rot. Bonds2

About 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one

4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one (PubChem CID 137245690) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one
PubChem CID137245690
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(-c3ccco3)c(Cl)c2)nc[nH]1
InChIInChI=1S/C14H9ClN2O2/c15-11-6-9(12-7-14(18)17-8-16-12)3-4-10(11)13-2-1-5-19-13/h1-8H,(H,16,17,18)
InChIKeyUWUOIICPJDFDIP-UHFFFAOYSA-N
XLogP3.35
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide
CID 144518916
4-(4-chloro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769438
4-(5-chloro-2-fluorophenyl)-1H-pyrimidin-6-one
CID 136969559
4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane
CID 159568727
3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527958
4-(furan-2-yl)-2-phenyl-1H-pyrimidin-6-one
CID 136692919
6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one
CID 137423273
N-[[3-chloro-4-(furan-2-yl)phenyl]methyl]acetamide
CID 168528492
3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527891
4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135882171
5-(furan-2-yl)-1H-pyrimidin-2-one
CID 53222218
2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 174524048

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one (CID 137245690) is 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one is O=c1cc(-c2ccc(-c3ccco3)c(Cl)c2)nc[nH]1.
What is the InChIKey of 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is UWUOIICPJDFDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-6-9(12-7-14(18)17-8-16-12)3-4-10(11)13-2-1-5-19-13/h1-8H,(H,16,17,18).
What are the key properties of 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one?
4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 272.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(furan-2-yl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137245690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).