[(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol

C10H11N5O — CID 6531437

IUPAC[(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
SMILESNc1ncnc2c1ncn2/C=C1\CC1CO
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+
InChIKeyBOCARSGZHMZWCE-QHHAFSJGSA-N
MW217.23 g/mol
LogP0.26
Rot. Bonds2

About [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol

[(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol (PubChem CID 6531437) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol.

Molecular Properties

Compound Name[(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
PubChem CID6531437
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name[(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol
SMILESNc1ncnc2c1ncn2/C=C1\CC1CO
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+
InChIKeyBOCARSGZHMZWCE-QHHAFSJGSA-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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol?
The IUPAC name of [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol (CID 6531437) is [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol.
What is the SMILES notation for [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol?
The canonical SMILES for [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol is Nc1ncnc2c1ncn2/C=C1\CC1CO.
What is the InChIKey of [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol?
The InChIKey is BOCARSGZHMZWCE-QHHAFSJGSA-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+.
What are the key properties of [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol?
[(2E)-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 [(2E)-2-[(6-aminopurin-9-yl)methylidene]cyclopropyl]methanol is sourced from PubChem (CID 6531437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).