[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol

C14H18N6O2 — CID 11174144

IUPAC[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1nc(NC2CC2)c2ncn(/C=C3\CC3(CO)CO)c2n1
InChIInChI=1S/C14H18N6O2/c15-13-18-11(17-9-1-2-9)10-12(19-13)20(7-16-10)4-8-3-14(8,5-21)6-22/h4,7,9,21-22H,1-3,5-6H2,(H3,15,17,18,19)/b8-4+
InChIKeyWIQGWZWXZQTAOO-XBXARRHUSA-N
MW302.34 g/mol
LogP0.20
Rot. Bonds5

About [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol

[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 11174144) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID11174144
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1nc(NC2CC2)c2ncn(/C=C3\CC3(CO)CO)c2n1
InChIInChI=1S/C14H18N6O2/c15-13-18-11(17-9-1-2-9)10-12(19-13)20(7-16-10)4-8-3-14(8,5-21)6-22/h4,7,9,21-22H,1-3,5-6H2,(H3,15,17,18,19)/b8-4+
InChIKeyWIQGWZWXZQTAOO-XBXARRHUSA-N
XLogP0.20
TPSA122.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (CID 11174144) is [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is Nc1nc(NC2CC2)c2ncn(/C=C3\CC3(CO)CO)c2n1.
What is the InChIKey of [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is WIQGWZWXZQTAOO-XBXARRHUSA-N. The full InChI is InChI=1S/C14H18N6O2/c15-13-18-11(17-9-1-2-9)10-12(19-13)20(7-16-10)4-8-3-14(8,5-21)6-22/h4,7,9,21-22H,1-3,5-6H2,(H3,15,17,18,19)/b8-4+.
What are the key properties of [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
[(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 302.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[[2-amino-6-(cyclopropylamino)purin-9-yl]methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 11174144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).