2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol

C5H11N5O — CID 133059731

IUPAC2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol
SMILESNC1NC2=C(NCN2)C(O)N1
InChIInChI=1S/C5H11N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h4-5,7-11H,1,6H2
InChIKeyVRAZZEZCKWZLGJ-UHFFFAOYSA-N
MW157.18 g/mol
LogP-2.94
Rot. Bonds

About 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol

2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol (PubChem CID 133059731) has the molecular formula C5H11N5O and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol.

Molecular Properties

Compound Name2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol
PubChem CID133059731
Molecular FormulaC5H11N5O
Molecular Weight157.18 g/mol
Exact Mass157.10
IUPAC Name2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol
SMILESNC1NC2=C(NCN2)C(O)N1
InChIInChI=1S/C5H11N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h4-5,7-11H,1,6H2
InChIKeyVRAZZEZCKWZLGJ-UHFFFAOYSA-N
XLogP-2.94
TPSA94.37 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500157.18
LogP ≤ 5-2.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol?
The IUPAC name of 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol (CID 133059731) is 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol.
What is the SMILES notation for 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol?
The canonical SMILES for 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol is NC1NC2=C(NCN2)C(O)N1.
What is the InChIKey of 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol?
The InChIKey is VRAZZEZCKWZLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h4-5,7-11H,1,6H2.
What are the key properties of 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol?
2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol has a molecular weight of 157.18 g/mol, XLogP of -2.94, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,6,7,8,9-hexahydro-1H-purin-6-ol is sourced from PubChem (CID 133059731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).