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

C11H16IN3O2 — CID 66340049

IUPACN,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-4-14(5-2)10(16)7-15-8(3)13-6-9(12)11(15)17/h6H,4-5,7H2,1-3H3
InChIKeyHDJGHGPHEMNRJH-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.02
Rot. Bonds4

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

N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66340049) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66340049
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC NameN,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(C)ncc(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-4-14(5-2)10(16)7-15-8(3)13-6-9(12)11(15)17/h6H,4-5,7H2,1-3H3
InChIKeyHDJGHGPHEMNRJH-UHFFFAOYSA-N
XLogP1.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.02
H-Bond Donors ≤ 50
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 N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66340049) is N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide is CCN(CC)C(=O)Cn1c(C)ncc(I)c1=O.
What is the InChIKey of N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is HDJGHGPHEMNRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-4-14(5-2)10(16)7-15-8(3)13-6-9(12)11(15)17/h6H,4-5,7H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide?
N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 349.17 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66340049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).