2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

C12H18IN3O2 — CID 66340688

IUPAC2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)NC(C)C(C)C
InChIInChI=1S/C12H18IN3O2/c1-7(2)8(3)15-11(17)6-16-9(4)14-5-10(13)12(16)18/h5,7-8H,6H2,1-4H3,(H,15,17)
InChIKeyUGPJIVDVINIIGK-UHFFFAOYSA-N
MW363.20 g/mol
LogP1.32
Rot. Bonds4

About 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 66340688) has the molecular formula C12H18IN3O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID66340688
Molecular FormulaC12H18IN3O2
Molecular Weight363.20 g/mol
Exact Mass363.04
IUPAC Name2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCc1ncc(I)c(=O)n1CC(=O)NC(C)C(C)C
InChIInChI=1S/C12H18IN3O2/c1-7(2)8(3)15-11(17)6-16-9(4)14-5-10(13)12(16)18/h5,7-8H,6H2,1-4H3,(H,15,17)
InChIKeyUGPJIVDVINIIGK-UHFFFAOYSA-N
XLogP1.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 51.32
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-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 66340688) is 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide is Cc1ncc(I)c(=O)n1CC(=O)NC(C)C(C)C.
What is the InChIKey of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is UGPJIVDVINIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O2/c1-7(2)8(3)15-11(17)6-16-9(4)14-5-10(13)12(16)18/h5,7-8H,6H2,1-4H3,(H,15,17).
What are the key properties of 2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 363.20 g/mol, XLogP of 1.32, 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 66340688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).