6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one

C9H7ClN2O2 — CID 117260641

IUPAC6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cnc(=O)[nH]c2Cl)o1
InChIInChI=1S/C9H7ClN2O2/c1-5-2-3-7(14-5)6-4-11-9(13)12-8(6)10/h2-4H,1H3,(H,11,12,13)
InChIKeyJJUCLFKAJCQNEY-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.99
Rot. Bonds1

About 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one

6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one (PubChem CID 117260641) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one
PubChem CID117260641
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one
SMILESCc1ccc(-c2cnc(=O)[nH]c2Cl)o1
InChIInChI=1S/C9H7ClN2O2/c1-5-2-3-7(14-5)6-4-11-9(13)12-8(6)10/h2-4H,1H3,(H,11,12,13)
InChIKeyJJUCLFKAJCQNEY-UHFFFAOYSA-N
XLogP1.99
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one (CID 117260641) is 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one is Cc1ccc(-c2cnc(=O)[nH]c2Cl)o1.
What is the InChIKey of 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one?
The InChIKey is JJUCLFKAJCQNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-5-2-3-7(14-5)6-4-11-9(13)12-8(6)10/h2-4H,1H3,(H,11,12,13).
What are the key properties of 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one?
6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one has a molecular weight of 210.62 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(5-methylfuran-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 117260641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).