2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one

C10H11N5O2 — CID 135856560

IUPAC2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2/C=C2\C[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H3,11,13,14,17)/b5-2+/t6-/m0/s1
InChIKeyBGLCIGGDZYNYIQ-NWKRWUBRSA-N
MW233.23 g/mol
LogP-0.45
Rot. Bonds2

About 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one

2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one (PubChem CID 135856560) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
PubChem CID135856560
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
SMILESNc1nc2c(ncn2/C=C2\C[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C10H11N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H3,11,13,14,17)/b5-2+/t6-/m0/s1
InChIKeyBGLCIGGDZYNYIQ-NWKRWUBRSA-N
XLogP-0.45
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2Z)-2-[(2-amino-6-oxo-1H-purin-9-yl)methylidene]cyclopropyl]methyl 2-methylpropanoate
CID 139474417
2-amino-9-[(E)-[(2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropylidene]methyl]-1H-purin-6-one
CID 135885178
2-amino-9-[(E)-[(3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
CID 135511266
[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
CID 3001845
[(1S)-2-[(2-amino-6-prop-2-enoxypurin-9-yl)methylidene]cyclopropyl]methanol
CID 503507
2-amino-9-[3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
CID 137138622
2-amino-9-[(1R,5S)-6-(hydroxymethyl)-3-bicyclo[3.1.0]hexanyl]-1H-purin-6-one
CID 135400904
2-amino-9-[(Z)-[(2S)-2-(hydroxymethyl)-2-(phosphorosooxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
CID 139474356
[(1S,2Z)-2-[[2-amino-6-(prop-2-enylamino)purin-9-yl]methylidene]cyclopropyl]methanol
CID 3006037
2-amino-9-[3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;ethane
CID 143150519
[(1S,2Z)-2-[(2-amino-6-oxo-1H-purin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methyl 2-methylpropanoate
CID 175465566
2-amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one
CID 135426586

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one (CID 135856560) is 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one is Nc1nc2c(ncn2/C=C2\C[C@H]2CO)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one?
The InChIKey is BGLCIGGDZYNYIQ-NWKRWUBRSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H3,11,13,14,17)/b5-2+/t6-/m0/s1.
What are the key properties of 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one?
2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one has a molecular weight of 233.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one is sourced from PubChem (CID 135856560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).