6-amino-5-iodo-1H-pyrimidin-2-one

C8H8I2N6O2 — CID 139054566

IUPAC6-amino-5-iodo-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1I.Nc1[nH]c(=O)ncc1I
InChIInChI=1S/2C4H4IN3O/c2*5-2-1-7-4(9)8-3(2)6/h2*1H,(H3,6,7,8,9)
InChIKeyBRPGXXCAAJMCNH-UHFFFAOYSA-N
MW474.00 g/mol
LogP-0.09
Rot. Bonds

About 6-amino-5-iodo-1H-pyrimidin-2-one

6-amino-5-iodo-1H-pyrimidin-2-one (PubChem CID 139054566) has the molecular formula C8H8I2N6O2 and a molecular weight of 474.00 g/mol. Its IUPAC name is 6-amino-5-iodo-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-iodo-1H-pyrimidin-2-one
PubChem CID139054566
Molecular FormulaC8H8I2N6O2
Molecular Weight474.00 g/mol
Exact Mass473.88
IUPAC Name6-amino-5-iodo-1H-pyrimidin-2-one
SMILESNc1[nH]c(=O)ncc1I.Nc1[nH]c(=O)ncc1I
InChIInChI=1S/2C4H4IN3O/c2*5-2-1-7-4(9)8-3(2)6/h2*1H,(H3,6,7,8,9)
InChIKeyBRPGXXCAAJMCNH-UHFFFAOYSA-N
XLogP-0.09
TPSA143.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.00
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-iodo-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-iodo-1H-pyrimidin-2-one (CID 139054566) is 6-amino-5-iodo-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-iodo-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-iodo-1H-pyrimidin-2-one is Nc1[nH]c(=O)ncc1I.Nc1[nH]c(=O)ncc1I.
What is the InChIKey of 6-amino-5-iodo-1H-pyrimidin-2-one?
The InChIKey is BRPGXXCAAJMCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4IN3O/c2*5-2-1-7-4(9)8-3(2)6/h2*1H,(H3,6,7,8,9).
What are the key properties of 6-amino-5-iodo-1H-pyrimidin-2-one?
6-amino-5-iodo-1H-pyrimidin-2-one has a molecular weight of 474.00 g/mol, XLogP of -0.09, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-iodo-1H-pyrimidin-2-one is sourced from PubChem (CID 139054566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).