6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one

C4H5FIN3O — CID 147755507

IUPAC6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one
SMILESNC1NC(=O)N(I)C=C1F
InChIInChI=1S/C4H5FIN3O/c5-2-1-9(6)4(10)8-3(2)7/h1,3H,7H2,(H,8,10)
InChIKeyHDAOJMRCCCCYMR-UHFFFAOYSA-N
MW257.01 g/mol
LogP0.46
Rot. Bonds

About 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one

6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one (PubChem CID 147755507) has the molecular formula C4H5FIN3O and a molecular weight of 257.01 g/mol. Its IUPAC name is 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one
PubChem CID147755507
Molecular FormulaC4H5FIN3O
Molecular Weight257.01 g/mol
Exact Mass256.95
IUPAC Name6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one
SMILESNC1NC(=O)N(I)C=C1F
InChIInChI=1S/C4H5FIN3O/c5-2-1-9(6)4(10)8-3(2)7/h1,3H,7H2,(H,8,10)
InChIKeyHDAOJMRCCCCYMR-UHFFFAOYSA-N
XLogP0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.01
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one?
The IUPAC name of 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one (CID 147755507) is 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one is NC1NC(=O)N(I)C=C1F.
What is the InChIKey of 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one?
The InChIKey is HDAOJMRCCCCYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FIN3O/c5-2-1-9(6)4(10)8-3(2)7/h1,3H,7H2,(H,8,10).
What are the key properties of 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one?
6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one has a molecular weight of 257.01 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-3-iodo-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 147755507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).