[(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

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

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Related Compounds

6-Deoxypenciclovir
CID 128517
3-(6-Amino-9H-purin-9-yl)propan-1-ol
CID 12486289
(Z)-(2-((6-Amino-9H-purin-9-yl)methylene)cyclopropyl)methanol
CID 6312482
[(1R,4S)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 466400
[2-(6-Allylamino-2-amino-purin-9-ylmethylene)-cyclopropyl]-methanol
CID 3006037
[2-(2-Amino-6-prop-2-ynylamino-purin-9-ylmethylene)-cyclopropyl]-methanol
CID 3006038
{2-[2-Amino-6-(cyclopropylmethyl-amino)-purin-9-ylmethylene]-cyclopropyl}-methanol
CID 3006043
[(2Z)-2-[(2-amino-6-fluoro-purin-9-yl)methylene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 10422963
(E)-2-Amino-6-cyclopropylamino-9-{[2,2-bis(hydroxymethyl)cyclopropylidene]methyl}purine
CID 11174144
Synadenol
CID 6531437
6-Aminocarbovir
CID 130245
9-(4-Hydroxy-3-(hydroxymethyl)-2-butenyl)adenine
CID 147104

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).