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

C11H16IN3O2 — CID 66341550

IUPACN-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1cnc(C)c(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-3-4-5-13-9(16)6-15-7-14-8(2)10(12)11(15)17/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyVRUWFYVDGNQGFN-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.07
Rot. Bonds5

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

N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66341550) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID66341550
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC NameN-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1cnc(C)c(I)c1=O
InChIInChI=1S/C11H16IN3O2/c1-3-4-5-13-9(16)6-15-7-14-8(2)10(12)11(15)17/h7H,3-6H2,1-2H3,(H,13,16)
InChIKeyVRUWFYVDGNQGFN-UHFFFAOYSA-N
XLogP1.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 66341550) is N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is CCCCNC(=O)Cn1cnc(C)c(I)c1=O.
What is the InChIKey of N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is VRUWFYVDGNQGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-3-4-5-13-9(16)6-15-7-14-8(2)10(12)11(15)17/h7H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 349.17 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66341550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).