4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one

C9H13FIN3O4 — CID 70853207

IUPAC4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one
SMILESNc1nc(=O)n([C@H](OCCO)C(F)CO)cc1I
InChIInChI=1S/C9H13FIN3O4/c10-5(4-16)8(18-2-1-15)14-3-6(11)7(12)13-9(14)17/h3,5,8,15-16H,1-2,4H2,(H2,12,13,17)/t5?,8-/m1/s1
InChIKeyMFRGCGJNFXNPKL-XCGJVMPOSA-N
MW373.12 g/mol
LogP-0.73
Rot. Bonds6

About 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one

4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one (PubChem CID 70853207) has the molecular formula C9H13FIN3O4 and a molecular weight of 373.12 g/mol. Its IUPAC name is 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one
PubChem CID70853207
Molecular FormulaC9H13FIN3O4
Molecular Weight373.12 g/mol
Exact Mass372.99
IUPAC Name4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one
SMILESNc1nc(=O)n([C@H](OCCO)C(F)CO)cc1I
InChIInChI=1S/C9H13FIN3O4/c10-5(4-16)8(18-2-1-15)14-3-6(11)7(12)13-9(14)17/h3,5,8,15-16H,1-2,4H2,(H2,12,13,17)/t5?,8-/m1/s1
InChIKeyMFRGCGJNFXNPKL-XCGJVMPOSA-N
XLogP-0.73
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.12
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one?
The IUPAC name of 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one (CID 70853207) is 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one is Nc1nc(=O)n([C@H](OCCO)C(F)CO)cc1I.
What is the InChIKey of 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one?
The InChIKey is MFRGCGJNFXNPKL-XCGJVMPOSA-N. The full InChI is InChI=1S/C9H13FIN3O4/c10-5(4-16)8(18-2-1-15)14-3-6(11)7(12)13-9(14)17/h3,5,8,15-16H,1-2,4H2,(H2,12,13,17)/t5?,8-/m1/s1.
What are the key properties of 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one?
4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one has a molecular weight of 373.12 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1R)-2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]-5-iodopyrimidin-2-one is sourced from PubChem (CID 70853207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).