[2-(7H-purin-6-yl)cyclopropyl]methanol

C9H10N4O — CID 74347683

IUPAC[2-(7H-purin-6-yl)cyclopropyl]methanol
SMILESOCC1CC1c1ncnc2nc[nH]c12
InChIInChI=1S/C9H10N4O/c14-2-5-1-6(5)7-8-9(12-3-10-7)13-4-11-8/h3-6,14H,1-2H2,(H,10,11,12,13)
InChIKeyDMBIFDUJZYJRHL-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.45
Rot. Bonds2

About [2-(7H-purin-6-yl)cyclopropyl]methanol

[2-(7H-purin-6-yl)cyclopropyl]methanol (PubChem CID 74347683) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is [2-(7H-purin-6-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-(7H-purin-6-yl)cyclopropyl]methanol
PubChem CID74347683
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name[2-(7H-purin-6-yl)cyclopropyl]methanol
SMILESOCC1CC1c1ncnc2nc[nH]c12
InChIInChI=1S/C9H10N4O/c14-2-5-1-6(5)7-8-9(12-3-10-7)13-4-11-8/h3-6,14H,1-2H2,(H,10,11,12,13)
InChIKeyDMBIFDUJZYJRHL-UHFFFAOYSA-N
XLogP0.45
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(7H-purin-6-yl)cyclopropyl]methanol?
The IUPAC name of [2-(7H-purin-6-yl)cyclopropyl]methanol (CID 74347683) is [2-(7H-purin-6-yl)cyclopropyl]methanol.
What is the SMILES notation for [2-(7H-purin-6-yl)cyclopropyl]methanol?
The canonical SMILES for [2-(7H-purin-6-yl)cyclopropyl]methanol is OCC1CC1c1ncnc2nc[nH]c12.
What is the InChIKey of [2-(7H-purin-6-yl)cyclopropyl]methanol?
The InChIKey is DMBIFDUJZYJRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c14-2-5-1-6(5)7-8-9(12-3-10-7)13-4-11-8/h3-6,14H,1-2H2,(H,10,11,12,13).
What are the key properties of [2-(7H-purin-6-yl)cyclopropyl]methanol?
[2-(7H-purin-6-yl)cyclopropyl]methanol has a molecular weight of 190.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7H-purin-6-yl)cyclopropyl]methanol is sourced from PubChem (CID 74347683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).