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

C10H11N5O — CID 3001845

IUPAC[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
SMILESNc1ncnc2c1ncn2/C=C1/C[C@@H]1CO
InChIInChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2-/t7-/m1/s1
InChIKeyBOCARSGZHMZWCE-DORPFBBESA-N
MW217.23 g/mol
LogP0.26
Rot. Bonds2

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

[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol (PubChem CID 3001845) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
PubChem CID3001845
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
SMILESNc1ncnc2c1ncn2/C=C1/C[C@@H]1CO
InChIInChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2-/t7-/m1/s1
InChIKeyBOCARSGZHMZWCE-DORPFBBESA-N
XLogP0.26
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol with MolForge

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Related Compounds

[(1R,2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methyl acetate
CID 10825162
[(1S,3R)-2-[(6-aminopurin-9-yl)methylidene]-3-(hydroxymethyl)cyclopropyl]methanol
CID 11064729
[[(2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 3011615
9-(cyclobutylidenemethyl)purin-6-amine
CID 91149333
2-amino-9-[(E)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
CID 135856560
[(1S)-2-[(2-amino-6-prop-2-enoxypurin-9-yl)methylidene]cyclopropyl]methanol
CID 503507
[(1S,2Z)-2-[[2-amino-6-(prop-2-enylamino)purin-9-yl]methylidene]cyclopropyl]methanol
CID 3006037
[2-[2-(6-aminopurin-9-yl)ethylidene]cyclobutyl]methanol
CID 71427271
[(1S)-2-[(6-chloropurin-9-yl)methylidene]cyclopropyl]methyl acetate
CID 54568616
[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
CID 20846249
[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
CID 15077057
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568

Frequently Asked Questions

What is the IUPAC name of [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol?
The IUPAC name of [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol (CID 3001845) is [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol?
The canonical SMILES for [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol is Nc1ncnc2c1ncn2/C=C1/C[C@@H]1CO.
What is the InChIKey of [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol?
The InChIKey is BOCARSGZHMZWCE-DORPFBBESA-N. The full InChI is InChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2-/t7-/m1/s1.
What are the key properties of [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol?
[(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol has a molecular weight of 217.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2Z)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol is sourced from PubChem (CID 3001845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).