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

C10H14IN3O2 — CID 66309288

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-7(2)3-13-9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,3,5H2,1-2H3,(H,13,15)
InChIKeyGYSOVHXKAGJHGC-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.62
Rot. Bonds4

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

2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 66309288) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID66309288
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-7(2)3-13-9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,3,5H2,1-2H3,(H,13,15)
InChIKeyGYSOVHXKAGJHGC-UHFFFAOYSA-N
XLogP0.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide (CID 66309288) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1cncc(I)c1=O.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is GYSOVHXKAGJHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-7(2)3-13-9(15)5-14-6-12-4-8(11)10(14)16/h4,6-7H,3,5H2,1-2H3,(H,13,15).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 335.15 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 66309288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).