2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C12H16IN3O3 — CID 66308240

IUPAC2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cncc(I)c1=O)C(C)C
InChIInChI=1S/C12H16IN3O3/c1-7(2)11(8(3)17)15-10(18)5-16-6-14-4-9(13)12(16)19/h4,6-7,11H,5H2,1-3H3,(H,15,18)
InChIKeyBPUVJWKJMHHWKW-UHFFFAOYSA-N
MW377.18 g/mol
LogP0.58
Rot. Bonds5

About 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 66308240) has the molecular formula C12H16IN3O3 and a molecular weight of 377.18 g/mol. Its IUPAC name is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID66308240
Molecular FormulaC12H16IN3O3
Molecular Weight377.18 g/mol
Exact Mass377.02
IUPAC Name2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cncc(I)c1=O)C(C)C
InChIInChI=1S/C12H16IN3O3/c1-7(2)11(8(3)17)15-10(18)5-16-6-14-4-9(13)12(16)19/h4,6-7,11H,5H2,1-3H3,(H,15,18)
InChIKeyBPUVJWKJMHHWKW-UHFFFAOYSA-N
XLogP0.58
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 66308240) is 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)Cn1cncc(I)c1=O)C(C)C.
What is the InChIKey of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is BPUVJWKJMHHWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O3/c1-7(2)11(8(3)17)15-10(18)5-16-6-14-4-9(13)12(16)19/h4,6-7,11H,5H2,1-3H3,(H,15,18).
What are the key properties of 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 377.18 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-6-oxopyrimidin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 66308240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).