2-amino-5-iodo-1-methylpyrimidin-4-one

C5H6IN3O — CID 68786766

IUPAC2-amino-5-iodo-1-methylpyrimidin-4-one
SMILESCn1cc(I)c(=O)nc1N
InChIInChI=1S/C5H6IN3O/c1-9-2-3(6)4(10)8-5(9)7/h2H,1H3,(H2,7,8,10)
InChIKeyZBEBXBRMIAJAAO-UHFFFAOYSA-N
MW251.03 g/mol
LogP-0.03
Rot. Bonds

About 2-amino-5-iodo-1-methylpyrimidin-4-one

2-amino-5-iodo-1-methylpyrimidin-4-one (PubChem CID 68786766) has the molecular formula C5H6IN3O and a molecular weight of 251.03 g/mol. Its IUPAC name is 2-amino-5-iodo-1-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-iodo-1-methylpyrimidin-4-one
PubChem CID68786766
Molecular FormulaC5H6IN3O
Molecular Weight251.03 g/mol
Exact Mass250.96
IUPAC Name2-amino-5-iodo-1-methylpyrimidin-4-one
SMILESCn1cc(I)c(=O)nc1N
InChIInChI=1S/C5H6IN3O/c1-9-2-3(6)4(10)8-5(9)7/h2H,1H3,(H2,7,8,10)
InChIKeyZBEBXBRMIAJAAO-UHFFFAOYSA-N
XLogP-0.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
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 2-amino-5-iodo-1-methylpyrimidin-4-one?
The IUPAC name of 2-amino-5-iodo-1-methylpyrimidin-4-one (CID 68786766) is 2-amino-5-iodo-1-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-5-iodo-1-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-5-iodo-1-methylpyrimidin-4-one is Cn1cc(I)c(=O)nc1N.
What is the InChIKey of 2-amino-5-iodo-1-methylpyrimidin-4-one?
The InChIKey is ZBEBXBRMIAJAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3O/c1-9-2-3(6)4(10)8-5(9)7/h2H,1H3,(H2,7,8,10).
What are the key properties of 2-amino-5-iodo-1-methylpyrimidin-4-one?
2-amino-5-iodo-1-methylpyrimidin-4-one has a molecular weight of 251.03 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-1-methylpyrimidin-4-one is sourced from PubChem (CID 68786766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).