(2,8-diamino-7H-purin-6-yl)methanol

C6H8N6O — CID 45120876

IUPAC(2,8-diamino-7H-purin-6-yl)methanol
SMILESNc1nc(CO)c2[nH]c(N)nc2n1
InChIInChI=1S/C6H8N6O/c7-5-9-2(1-13)3-4(11-5)12-6(8)10-3/h13H,1H2,(H5,7,8,9,10,11,12)
InChIKeyGXJNJAMPQQGSSY-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.99
Rot. Bonds1

About (2,8-diamino-7H-purin-6-yl)methanol

(2,8-diamino-7H-purin-6-yl)methanol (PubChem CID 45120876) has the molecular formula C6H8N6O and a molecular weight of 180.17 g/mol. Its IUPAC name is (2,8-diamino-7H-purin-6-yl)methanol.

Molecular Properties

Compound Name(2,8-diamino-7H-purin-6-yl)methanol
PubChem CID45120876
Molecular FormulaC6H8N6O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(2,8-diamino-7H-purin-6-yl)methanol
SMILESNc1nc(CO)c2[nH]c(N)nc2n1
InChIInChI=1S/C6H8N6O/c7-5-9-2(1-13)3-4(11-5)12-6(8)10-3/h13H,1H2,(H5,7,8,9,10,11,12)
InChIKeyGXJNJAMPQQGSSY-UHFFFAOYSA-N
XLogP-0.99
TPSA126.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,8-diamino-7H-purin-6-yl)methanol?
The IUPAC name of (2,8-diamino-7H-purin-6-yl)methanol (CID 45120876) is (2,8-diamino-7H-purin-6-yl)methanol.
What is the SMILES notation for (2,8-diamino-7H-purin-6-yl)methanol?
The canonical SMILES for (2,8-diamino-7H-purin-6-yl)methanol is Nc1nc(CO)c2[nH]c(N)nc2n1.
What is the InChIKey of (2,8-diamino-7H-purin-6-yl)methanol?
The InChIKey is GXJNJAMPQQGSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O/c7-5-9-2(1-13)3-4(11-5)12-6(8)10-3/h13H,1H2,(H5,7,8,9,10,11,12).
What are the key properties of (2,8-diamino-7H-purin-6-yl)methanol?
(2,8-diamino-7H-purin-6-yl)methanol has a molecular weight of 180.17 g/mol, XLogP of -0.99, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-diamino-7H-purin-6-yl)methanol is sourced from PubChem (CID 45120876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).