2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one

C11H12FN5O2 — CID 135424607

IUPAC2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@@H]2C[C@H](CO)C=C2F)c(=O)[nH]1
InChIInChI=1S/C11H12FN5O2/c12-6-1-5(3-18)2-7(6)17-4-14-8-9(17)15-11(13)16-10(8)19/h1,4-5,7,18H,2-3H2,(H3,13,15,16,19)/t5-,7-/m1/s1
InChIKeyAWYDSHIZEMQIKZ-IYSWYEEDSA-N
MW265.25 g/mol
LogP0.11
Rot. Bonds2

About 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one

2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one (PubChem CID 135424607) has the molecular formula C11H12FN5O2 and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
PubChem CID135424607
Molecular FormulaC11H12FN5O2
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC Name2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@@H]2C[C@H](CO)C=C2F)c(=O)[nH]1
InChIInChI=1S/C11H12FN5O2/c12-6-1-5(3-18)2-7(6)17-4-14-8-9(17)15-11(13)16-10(8)19/h1,4-5,7,18H,2-3H2,(H3,13,15,16,19)/t5-,7-/m1/s1
InChIKeyAWYDSHIZEMQIKZ-IYSWYEEDSA-N
XLogP0.11
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135403630
2-amino-9-[3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 137138622
2-amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 135742598
2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate
CID 135616735
2-amino-9-[(1S,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate
CID 141498659
2-amino-9-[3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;ethane
CID 143150519
2-amino-9-[(3R,4S)-3-(hydroxymethyl)-4-methyl-2-methylidenecyclopentyl]-1H-purin-6-one
CID 163868604
2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate;hydrochloride
CID 136623180
2-amino-9-[(1R,5S)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hexanyl]-1H-purin-6-one
CID 135400904
2-amino-9-(4-hydroxy-2-methylidenecyclopentyl)-1H-purin-6-one
CID 137031211
acetic acid;2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 135936918
2-amino-9-[4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
CID 135841589

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one (CID 135424607) is 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one is Nc1nc2c(ncn2[C@@H]2C[C@H](CO)C=C2F)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one?
The InChIKey is AWYDSHIZEMQIKZ-IYSWYEEDSA-N. The full InChI is InChI=1S/C11H12FN5O2/c12-6-1-5(3-18)2-7(6)17-4-14-8-9(17)15-11(13)16-10(8)19/h1,4-5,7,18H,2-3H2,(H3,13,15,16,19)/t5-,7-/m1/s1.
What are the key properties of 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one?
2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one has a molecular weight of 265.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one is sourced from PubChem (CID 135424607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).