2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one

C12H11ClIN3O — CID 136847774

IUPAC2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ncccc2Cl)[nH]c(=O)c1I
InChIInChI=1S/C12H11ClIN3O/c1-2-4-8-9(14)12(18)17-11(16-8)10-7(13)5-3-6-15-10/h3,5-6H,2,4H2,1H3,(H,16,17,18)
InChIKeyDRLXUBRRHOWZME-UHFFFAOYSA-N
MW375.60 g/mol
LogP3.04
Rot. Bonds3

About 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one

2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one (PubChem CID 136847774) has the molecular formula C12H11ClIN3O and a molecular weight of 375.60 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
PubChem CID136847774
Molecular FormulaC12H11ClIN3O
Molecular Weight375.60 g/mol
Exact Mass374.96
IUPAC Name2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ncccc2Cl)[nH]c(=O)c1I
InChIInChI=1S/C12H11ClIN3O/c1-2-4-8-9(14)12(18)17-11(16-8)10-7(13)5-3-6-15-10/h3,5-6H,2,4H2,1H3,(H,16,17,18)
InChIKeyDRLXUBRRHOWZME-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-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 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one (CID 136847774) is 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2ncccc2Cl)[nH]c(=O)c1I.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one?
The InChIKey is DRLXUBRRHOWZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3O/c1-2-4-8-9(14)12(18)17-11(16-8)10-7(13)5-3-6-15-10/h3,5-6H,2,4H2,1H3,(H,16,17,18).
What are the key properties of 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one?
2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one has a molecular weight of 375.60 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136847774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).