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

C11H13N5O2 — CID 3006039

IUPAC[(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1ncnc2c1ncn2/C=C1/CC1(CO)CO
InChIInChI=1S/C11H13N5O2/c12-9-8-10(14-5-13-9)16(6-15-8)2-7-1-11(7,3-17)4-18/h2,5-6,17-18H,1,3-4H2,(H2,12,13,14)/b7-2-
InChIKeyPXYOVTOZMPOHBK-UQCOIBPSSA-N
MW247.26 g/mol
LogP-0.38
Rot. Bonds3

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

[(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 3006039) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
PubChem CID3006039
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name[(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
SMILESNc1ncnc2c1ncn2/C=C1/CC1(CO)CO
InChIInChI=1S/C11H13N5O2/c12-9-8-10(14-5-13-9)16(6-15-8)2-7-1-11(7,3-17)4-18/h2,5-6,17-18H,1,3-4H2,(H2,12,13,14)/b7-2-
InChIKeyPXYOVTOZMPOHBK-UQCOIBPSSA-N
XLogP-0.38
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 ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol (CID 3006039) is [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is Nc1ncnc2c1ncn2/C=C1/CC1(CO)CO.
What is the InChIKey of [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is PXYOVTOZMPOHBK-UQCOIBPSSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-9-8-10(14-5-13-9)16(6-15-8)2-7-1-11(7,3-17)4-18/h2,5-6,17-18H,1,3-4H2,(H2,12,13,14)/b7-2-.
What are the key properties of [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol?
[(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 247.26 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[(6-aminopurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 3006039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).