2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one

C11H15N5O3 — CID 135659015

IUPAC2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@H]2C[C@@H](CO)[C@H](O)C2)c(=O)[nH]1
InChIInChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)6-1-5(3-17)7(18)2-6/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7+/m0/s1
InChIKeyZEKJSNVOQKQOFO-LYFYHCNISA-N
MW265.27 g/mol
LogP-0.99
Rot. Bonds2

About 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one

2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one (PubChem CID 135659015) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
PubChem CID135659015
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2[C@H]2C[C@@H](CO)[C@H](O)C2)c(=O)[nH]1
InChIInChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)6-1-5(3-17)7(18)2-6/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7+/m0/s1
InChIKeyZEKJSNVOQKQOFO-LYFYHCNISA-N
XLogP-0.99
TPSA130.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one (CID 135659015) is 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one is Nc1nc2c(ncn2[C@H]2C[C@@H](CO)[C@H](O)C2)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one?
The InChIKey is ZEKJSNVOQKQOFO-LYFYHCNISA-N. The full InChI is InChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)6-1-5(3-17)7(18)2-6/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7+/m0/s1.
What are the key properties of 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one?
2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one has a molecular weight of 265.27 g/mol, XLogP of -0.99, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one is sourced from PubChem (CID 135659015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).