[(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol

C11H13N5O2 — CID 11064729

IUPAC[(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1ncnc2c1ncn2/C=C1\[C@@H](CO)[C@H]1CO
InChIInChI=1S/C11H13N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)1-6-7(2-17)8(6)3-18/h1,4-5,7-8,17-18H,2-3H2,(H2,12,13,14)/b6-1-/t7-,8+/m0/s1
InChIKeyYXPBLWXHXAIKFK-ICXHQJJTSA-N
MW247.26 g/mol
LogP-0.52
Rot. Bonds3

About [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol

[(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 11064729) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol
PubChem CID11064729
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name[(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1ncnc2c1ncn2/C=C1\[C@@H](CO)[C@H]1CO
InChIInChI=1S/C11H13N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)1-6-7(2-17)8(6)3-18/h1,4-5,7-8,17-18H,2-3H2,(H2,12,13,14)/b6-1-/t7-,8+/m0/s1
InChIKeyYXPBLWXHXAIKFK-ICXHQJJTSA-N
XLogP-0.52
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
CID 3001845
9-(cyclobutylidenemethyl)purin-6-amine
CID 91149333
[(1R,2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methyl acetate
CID 10825162
(1R,2S,4R)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)-3-methylidenecyclobutane-1-carbonitrile
CID 147729560
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
trans-(2S,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
CID 121320951
(1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
CID 52920495
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
[[(2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 3011615
[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol
CID 102087244

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol (CID 11064729) is [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol is Nc1ncnc2c1ncn2/C=C1\[C@@H](CO)[C@H]1CO.
What is the InChIKey of [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is YXPBLWXHXAIKFK-ICXHQJJTSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)1-6-7(2-17)8(6)3-18/h1,4-5,7-8,17-18H,2-3H2,(H2,12,13,14)/b6-1-/t7-,8+/m0/s1.
What are the key properties of [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol?
[(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 247.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 11064729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).