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

C8H10IN3O3 — CID 66309099

IUPACN-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NCCO
InChIInChI=1S/C8H10IN3O3/c9-6-3-10-5-12(8(6)15)4-7(14)11-1-2-13/h3,5,13H,1-2,4H2,(H,11,14)
InChIKeyRJBDQJKDXORNTE-UHFFFAOYSA-N
MW323.09 g/mol
LogP-1.04
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (PubChem CID 66309099) has the molecular formula C8H10IN3O3 and a molecular weight of 323.09 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
PubChem CID66309099
Molecular FormulaC8H10IN3O3
Molecular Weight323.09 g/mol
Exact Mass322.98
IUPAC NameN-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cncc(I)c1=O)NCCO
InChIInChI=1S/C8H10IN3O3/c9-6-3-10-5-12(8(6)15)4-7(14)11-1-2-13/h3,5,13H,1-2,4H2,(H,11,14)
InChIKeyRJBDQJKDXORNTE-UHFFFAOYSA-N
XLogP-1.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
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 N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide (CID 66309099) is N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cncc(I)c1=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is RJBDQJKDXORNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O3/c9-6-3-10-5-12(8(6)15)4-7(14)11-1-2-13/h3,5,13H,1-2,4H2,(H,11,14).
What are the key properties of N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide?
N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 323.09 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 66309099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).