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

C11H16IN3O2 — CID 66339829

IUPAC2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)NCC(C)C
InChIInChI=1S/C11H16IN3O2/c1-7(2)4-14-10(16)6-15-8(3)13-5-9(12)11(15)17/h5,7H,4,6H2,1-3H3,(H,14,16)
InChIKeyCZRKNVMNTGDWPD-UHFFFAOYSA-N
MW349.17 g/mol
LogP0.93
Rot. Bonds4

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

2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 66339829) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID66339829
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)NCC(C)C
InChIInChI=1S/C11H16IN3O2/c1-7(2)4-14-10(16)6-15-8(3)13-5-9(12)11(15)17/h5,7H,4,6H2,1-3H3,(H,14,16)
InChIKeyCZRKNVMNTGDWPD-UHFFFAOYSA-N
XLogP0.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)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-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide (CID 66339829) is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide is Cc1ncc(I)c(=O)n1CC(=O)NCC(C)C.
What is the InChIKey of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is CZRKNVMNTGDWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-7(2)4-14-10(16)6-15-8(3)13-5-9(12)11(15)17/h5,7H,4,6H2,1-3H3,(H,14,16).
What are the key properties of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 349.17 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 66339829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).