(8-cyclobutyl-7H-purin-2-yl)methanol

C10H12N4O — CID 67750087

IUPAC(8-cyclobutyl-7H-purin-2-yl)methanol
SMILESOCc1ncc2[nH]c(C3CCC3)nc2n1
InChIInChI=1S/C10H12N4O/c15-5-8-11-4-7-10(13-8)14-9(12-7)6-2-1-3-6/h4,6,15H,1-3,5H2,(H,11,12,13,14)
InChIKeyWNYQZDNYDTXXFC-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.11
Rot. Bonds2

About (8-cyclobutyl-7H-purin-2-yl)methanol

(8-cyclobutyl-7H-purin-2-yl)methanol (PubChem CID 67750087) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (8-cyclobutyl-7H-purin-2-yl)methanol.

Molecular Properties

Compound Name(8-cyclobutyl-7H-purin-2-yl)methanol
PubChem CID67750087
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(8-cyclobutyl-7H-purin-2-yl)methanol
SMILESOCc1ncc2[nH]c(C3CCC3)nc2n1
InChIInChI=1S/C10H12N4O/c15-5-8-11-4-7-10(13-8)14-9(12-7)6-2-1-3-6/h4,6,15H,1-3,5H2,(H,11,12,13,14)
InChIKeyWNYQZDNYDTXXFC-UHFFFAOYSA-N
XLogP1.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-cyclobutyl-7H-purin-2-yl)methanol?
The IUPAC name of (8-cyclobutyl-7H-purin-2-yl)methanol (CID 67750087) is (8-cyclobutyl-7H-purin-2-yl)methanol.
What is the SMILES notation for (8-cyclobutyl-7H-purin-2-yl)methanol?
The canonical SMILES for (8-cyclobutyl-7H-purin-2-yl)methanol is OCc1ncc2[nH]c(C3CCC3)nc2n1.
What is the InChIKey of (8-cyclobutyl-7H-purin-2-yl)methanol?
The InChIKey is WNYQZDNYDTXXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c15-5-8-11-4-7-10(13-8)14-9(12-7)6-2-1-3-6/h4,6,15H,1-3,5H2,(H,11,12,13,14).
What are the key properties of (8-cyclobutyl-7H-purin-2-yl)methanol?
(8-cyclobutyl-7H-purin-2-yl)methanol has a molecular weight of 204.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyclobutyl-7H-purin-2-yl)methanol is sourced from PubChem (CID 67750087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).