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

C10H12FN3O3 — CID 10014556

IUPAC4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CO)C=C2CF)c(=O)n1
InChIInChI=1S/C10H12FN3O3/c11-4-6-3-7(5-15)17-9(6)14-2-1-8(12)13-10(14)16/h1-3,7,9,15H,4-5H2,(H2,12,13,16)/t7-,9+/m0/s1
InChIKeyGWVSGFNNUKZATR-IONNQARKSA-N
MW241.22 g/mol
LogP-0.39
Rot. Bonds3

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

4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one (PubChem CID 10014556) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
PubChem CID10014556
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2O[C@H](CO)C=C2CF)c(=O)n1
InChIInChI=1S/C10H12FN3O3/c11-4-6-3-7(5-15)17-9(6)14-2-1-8(12)13-10(14)16/h1-3,7,9,15H,4-5H2,(H2,12,13,16)/t7-,9+/m0/s1
InChIKeyGWVSGFNNUKZATR-IONNQARKSA-N
XLogP-0.39
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2R,5R)-3-amino-5-ethyl-2,5-dihydrofuran-2-yl]pyrimidin-2-one
CID 143730839
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242
4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142243
4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]pyrimidin-2-one
CID 53250459
4-amino-1-[(2R,3S,4S,5R)-3-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21121840
4-amino-1-[(2S,3S,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 10588718
4-amino-1-[(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CID 12795778
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one (CID 10014556) is 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2O[C@H](CO)C=C2CF)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
The InChIKey is GWVSGFNNUKZATR-IONNQARKSA-N. The full InChI is InChI=1S/C10H12FN3O3/c11-4-6-3-7(5-15)17-9(6)14-2-1-8(12)13-10(14)16/h1-3,7,9,15H,4-5H2,(H2,12,13,16)/t7-,9+/m0/s1.
What are the key properties of 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one has a molecular weight of 241.22 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one is sourced from PubChem (CID 10014556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).