[(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol

C11H14N6O2 — CID 3006682

IUPAC[(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1nc(N)c2ncn(/C=C3/CC3(CO)CO)c2n1
InChIInChI=1S/C11H14N6O2/c12-8-7-9(16-10(13)15-8)17(5-14-7)2-6-1-11(6,3-18)4-19/h2,5,18-19H,1,3-4H2,(H4,12,13,15,16)/b6-2-
InChIKeyYZDFBHZWTFMZPF-KXFIGUGUSA-N
MW262.27 g/mol
LogP-0.79
Rot. Bonds3

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

[(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 3006682) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID3006682
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name[(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1nc(N)c2ncn(/C=C3/CC3(CO)CO)c2n1
InChIInChI=1S/C11H14N6O2/c12-8-7-9(16-10(13)15-8)17(5-14-7)2-6-1-11(6,3-18)4-19/h2,5,18-19H,1,3-4H2,(H4,12,13,15,16)/b6-2-
InChIKeyYZDFBHZWTFMZPF-KXFIGUGUSA-N
XLogP-0.79
TPSA136.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (CID 3006682) is [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is Nc1nc(N)c2ncn(/C=C3/CC3(CO)CO)c2n1.
What is the InChIKey of [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is YZDFBHZWTFMZPF-KXFIGUGUSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-8-7-9(16-10(13)15-8)17(5-14-7)2-6-1-11(6,3-18)4-19/h2,5,18-19H,1,3-4H2,(H4,12,13,15,16)/b6-2-.
What are the key properties of [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
[(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 262.27 g/mol, XLogP of -0.79, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[(2,6-diaminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 3006682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).