2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide

C12H16IN3O3 — CID 66340429

IUPAC2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCc1ncn(CC(=O)NC2CCOCC2)c(=O)c1I
InChIInChI=1S/C12H16IN3O3/c1-8-11(13)12(18)16(7-14-8)6-10(17)15-9-2-4-19-5-3-9/h7,9H,2-6H2,1H3,(H,15,17)
InChIKeyPPLCUNUEQHKCHS-UHFFFAOYSA-N
MW377.18 g/mol
LogP0.45
Rot. Bonds3

About 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide

2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 66340429) has the molecular formula C12H16IN3O3 and a molecular weight of 377.18 g/mol. Its IUPAC name is 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID66340429
Molecular FormulaC12H16IN3O3
Molecular Weight377.18 g/mol
Exact Mass377.02
IUPAC Name2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCc1ncn(CC(=O)NC2CCOCC2)c(=O)c1I
InChIInChI=1S/C12H16IN3O3/c1-8-11(13)12(18)16(7-14-8)6-10(17)15-9-2-4-19-5-3-9/h7,9H,2-6H2,1H3,(H,15,17)
InChIKeyPPLCUNUEQHKCHS-UHFFFAOYSA-N
XLogP0.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide 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-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide (CID 66340429) is 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide is Cc1ncn(CC(=O)NC2CCOCC2)c(=O)c1I.
What is the InChIKey of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is PPLCUNUEQHKCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O3/c1-8-11(13)12(18)16(7-14-8)6-10(17)15-9-2-4-19-5-3-9/h7,9H,2-6H2,1H3,(H,15,17).
What are the key properties of 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 377.18 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 66340429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).