(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one

C5H7N5O2 — CID 136740661

IUPAC(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one
SMILESNc1nc2c(c(=O)[nH]1)N[C@H](O)N2
InChIInChI=1S/C5H7N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h5,7,12H,(H4,6,8,9,10,11)/t5-/m0/s1
InChIKeyPQCYNJFGLQGFKP-YFKPBYRVSA-N
MW169.14 g/mol
LogP-1.53
Rot. Bonds

About (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one

(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one (PubChem CID 136740661) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one.

Molecular Properties

Compound Name(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one
PubChem CID136740661
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one
SMILESNc1nc2c(c(=O)[nH]1)N[C@H](O)N2
InChIInChI=1S/C5H7N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h5,7,12H,(H4,6,8,9,10,11)/t5-/m0/s1
InChIKeyPQCYNJFGLQGFKP-YFKPBYRVSA-N
XLogP-1.53
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one?
The IUPAC name of (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one (CID 136740661) is (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one.
What is the SMILES notation for (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one?
The canonical SMILES for (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one is Nc1nc2c(c(=O)[nH]1)N[C@H](O)N2.
What is the InChIKey of (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one?
The InChIKey is PQCYNJFGLQGFKP-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H7N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h5,7,12H,(H4,6,8,9,10,11)/t5-/m0/s1.
What are the key properties of (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one?
(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one has a molecular weight of 169.14 g/mol, XLogP of -1.53, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one is sourced from PubChem (CID 136740661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).