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

C11H14IN3O2 — CID 66308226

IUPACN-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESCCN(C(=O)Cn1cncc(I)c1=O)C1CC1
InChIInChI=1S/C11H14IN3O2/c1-2-15(8-3-4-8)10(16)6-14-7-13-5-9(12)11(14)17/h5,7-8H,2-4,6H2,1H3
InChIKeyWRRKPLCZKDGCPH-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.86
Rot. Bonds4

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

N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66308226) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66308226
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC NameN-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESCCN(C(=O)Cn1cncc(I)c1=O)C1CC1
InChIInChI=1S/C11H14IN3O2/c1-2-15(8-3-4-8)10(16)6-14-7-13-5-9(12)11(14)17/h5,7-8H,2-4,6H2,1H3
InChIKeyWRRKPLCZKDGCPH-UHFFFAOYSA-N
XLogP0.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 50.86
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-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66308226) is N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is CCN(C(=O)Cn1cncc(I)c1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is WRRKPLCZKDGCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-2-15(8-3-4-8)10(16)6-14-7-13-5-9(12)11(14)17/h5,7-8H,2-4,6H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 347.16 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66308226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).