5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one

C13H20IN3O2 — CID 66343188

IUPAC5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCNC(C)C1CCCO1
InChIInChI=1S/C13H20IN3O2/c1-9(12-4-3-7-19-12)15-5-6-17-10(2)16-8-11(14)13(17)18/h8-9,12,15H,3-7H2,1-2H3
InChIKeyCSGAVLVGTDUWGY-UHFFFAOYSA-N
MW377.23 g/mol
LogP1.31
Rot. Bonds5

About 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one

5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (PubChem CID 66343188) has the molecular formula C13H20IN3O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
PubChem CID66343188
Molecular FormulaC13H20IN3O2
Molecular Weight377.23 g/mol
Exact Mass377.06
IUPAC Name5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CCNC(C)C1CCCO1
InChIInChI=1S/C13H20IN3O2/c1-9(12-4-3-7-19-12)15-5-6-17-10(2)16-8-11(14)13(17)18/h8-9,12,15H,3-7H2,1-2H3
InChIKeyCSGAVLVGTDUWGY-UHFFFAOYSA-N
XLogP1.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-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 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one (CID 66343188) is 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is Cc1ncc(I)c(=O)n1CCNC(C)C1CCCO1.
What is the InChIKey of 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
The InChIKey is CSGAVLVGTDUWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O2/c1-9(12-4-3-7-19-12)15-5-6-17-10(2)16-8-11(14)13(17)18/h8-9,12,15H,3-7H2,1-2H3.
What are the key properties of 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one?
5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one has a molecular weight of 377.23 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 66343188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).