2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol

C11H15N5O5 — CID 142099539

IUPAC2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol
SMILESNc1nc2nc[nH]c2c(=O)[nH]1.OCC1C(O)[C@]2(O)C(O)C12
InChIInChI=1S/C6H10O4.C5H5N5O/c7-1-2-3-5(9)6(3,10)4(2)8;6-5-9-3-2(4(11)10-5)7-1-8-3/h2-5,7-10H,1H2;1H,(H4,6,7,8,9,10,11)/t2?,3?,4?,5?,6-;/m0./s1
InChIKeyGVDSMNXVVDANGB-WOEYWHLHSA-N
MW297.27 g/mol
LogP-3.08
Rot. Bonds1

About 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol

2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol (PubChem CID 142099539) has the molecular formula C11H15N5O5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol
PubChem CID142099539
Molecular FormulaC11H15N5O5
Molecular Weight297.27 g/mol
Exact Mass297.11
IUPAC Name2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol
SMILESNc1nc2nc[nH]c2c(=O)[nH]1.OCC1C(O)[C@]2(O)C(O)C12
InChIInChI=1S/C6H10O4.C5H5N5O/c7-1-2-3-5(9)6(3,10)4(2)8;6-5-9-3-2(4(11)10-5)7-1-8-3/h2-5,7-10H,1H2;1H,(H4,6,7,8,9,10,11)/t2?,3?,4?,5?,6-;/m0./s1
InChIKeyGVDSMNXVVDANGB-WOEYWHLHSA-N
XLogP-3.08
TPSA181.37 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.27
LogP ≤ 5-3.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

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2-amino-1,7-dihydropurin-6-one;copper;dihydrate
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CID 159387270
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2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
CID 160674517
2-amino-7-(2-chloroethyl)-1H-purin-6-one;2-amino-1,7-dihydropurin-6-one;2-amino-7-(2-hydroxyethyl)-1H-purin-6-one
CID 174568361

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol (CID 142099539) is 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol is Nc1nc2nc[nH]c2c(=O)[nH]1.OCC1C(O)[C@]2(O)C(O)C12.
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol?
The InChIKey is GVDSMNXVVDANGB-WOEYWHLHSA-N. The full InChI is InChI=1S/C6H10O4.C5H5N5O/c7-1-2-3-5(9)6(3,10)4(2)8;6-5-9-3-2(4(11)10-5)7-1-8-3/h2-5,7-10H,1H2;1H,(H4,6,7,8,9,10,11)/t2?,3?,4?,5?,6-;/m0./s1.
What are the key properties of 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol?
2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol has a molecular weight of 297.27 g/mol, XLogP of -3.08, 1 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one;(1R)-3-(hydroxymethyl)bicyclo[2.1.0]pentane-1,2,5-triol is sourced from PubChem (CID 142099539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).