2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one

C10H10FN5O3 — CID 173342200

IUPAC2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@H]2C[C@H](O)C(=CF)O2)c(=O)[nH]1
InChIInChI=1S/C10H10FN5O3/c11-2-5-4(17)1-6(19-5)16-3-13-7-8(16)14-10(12)15-9(7)18/h2-4,6,17H,1H2,(H3,12,14,15,18)/t4-,6+/m0/s1
InChIKeyWRFFTTZXULMBMI-UJURSFKZSA-N
MW267.22 g/mol
LogP-0.21
Rot. Bonds1

About 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one

2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one (PubChem CID 173342200) has the molecular formula C10H10FN5O3 and a molecular weight of 267.22 g/mol. Its IUPAC name is 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
PubChem CID173342200
Molecular FormulaC10H10FN5O3
Molecular Weight267.22 g/mol
Exact Mass267.08
IUPAC Name2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@H]2C[C@H](O)C(=CF)O2)c(=O)[nH]1
InChIInChI=1S/C10H10FN5O3/c11-2-5-4(17)1-6(19-5)16-3-13-7-8(16)14-10(12)15-9(7)18/h2-4,6,17H,1H2,(H3,12,14,15,18)/t4-,6+/m0/s1
InChIKeyWRFFTTZXULMBMI-UJURSFKZSA-N
XLogP-0.21
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-9-[(2R,4S)-5-(chloromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 173342620
9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 173342150
2-amino-9-[(2R,4S,5S)-5-[amino(hydroxy)methyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 175719934
2-amino-9-[(1R,2R)-2-hydroxycycloheptyl]-1H-purin-6-one
CID 135439454
2-amino-9-[(2R,4S,5R)-5-deuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136644173
2-amino-9-(4-hydroxy-5-prop-2-ynyloxolan-2-yl)-1H-purin-6-one
CID 137047629
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;phosphoric acid
CID 161404625
2-amino-9-[(2R,4S,5S)-4-(fluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136928999
2-amino-9-[(2R,5R)-5-(hydroxymethyl)-4-phosphanyloxyoxolan-2-yl]-1H-purin-6-one
CID 137213035
2-amino-9-[5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-1H-purin-6-one
CID 136931549
[[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]-hydroxymethyl]phosphonic acid
CID 174812029

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one (CID 173342200) is 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one is Nc1nc2c(ncn2[C@H]2C[C@H](O)C(=CF)O2)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one?
The InChIKey is WRFFTTZXULMBMI-UJURSFKZSA-N. The full InChI is InChI=1S/C10H10FN5O3/c11-2-5-4(17)1-6(19-5)16-3-13-7-8(16)14-10(12)15-9(7)18/h2-4,6,17H,1H2,(H3,12,14,15,18)/t4-,6+/m0/s1.
What are the key properties of 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one?
2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one has a molecular weight of 267.22 g/mol, XLogP of -0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 173342200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).