4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one

C10H14FN3O3 — CID 163608982

IUPAC4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one
SMILESCN1C(=O)N([C@@H]2C=C[C@H](CO)O2)C=C(F)C1N
InChIInChI=1S/C10H14FN3O3/c1-13-9(12)7(11)4-14(10(13)16)8-3-2-6(5-15)17-8/h2-4,6,8-9,15H,5,12H2,1H3/t6-,8+,9?/m1/s1
InChIKeyHEGPONJBFGMNCH-QREJWATPSA-N
MW243.24 g/mol
LogP-0.28
Rot. Bonds2

About 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one

4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one (PubChem CID 163608982) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one
PubChem CID163608982
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one
SMILESCN1C(=O)N([C@@H]2C=C[C@H](CO)O2)C=C(F)C1N
InChIInChI=1S/C10H14FN3O3/c1-13-9(12)7(11)4-14(10(13)16)8-3-2-6(5-15)17-8/h2-4,6,8-9,15H,5,12H2,1H3/t6-,8+,9?/m1/s1
InChIKeyHEGPONJBFGMNCH-QREJWATPSA-N
XLogP-0.28
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one (CID 163608982) is 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one is CN1C(=O)N([C@@H]2C=C[C@H](CO)O2)C=C(F)C1N.
What is the InChIKey of 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one?
The InChIKey is HEGPONJBFGMNCH-QREJWATPSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-13-9(12)7(11)4-14(10(13)16)8-3-2-6(5-15)17-8/h2-4,6,8-9,15H,5,12H2,1H3/t6-,8+,9?/m1/s1.
What are the key properties of 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one?
4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one has a molecular weight of 243.24 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(2S,5R)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3-methyl-4H-pyrimidin-2-one is sourced from PubChem (CID 163608982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).