2-amino-7,9-dihydro-1H-purine-6,8-dione

C5H5N5O2 — CID 135420630

IUPAC2-amino-7,9-dihydro-1H-purine-6,8-dione
SMILESNc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChIKeyCLGFIVUFZRGQRP-UHFFFAOYSA-N
MW167.13 g/mol
LogP-1.48
Rot. Bonds

About 2-amino-7,9-dihydro-1H-purine-6,8-dione

2-amino-7,9-dihydro-1H-purine-6,8-dione (PubChem CID 135420630) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is 2-amino-7,9-dihydro-1H-purine-6,8-dione.

Molecular Properties

Compound Name2-amino-7,9-dihydro-1H-purine-6,8-dione
PubChem CID135420630
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name2-amino-7,9-dihydro-1H-purine-6,8-dione
SMILESNc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChIKeyCLGFIVUFZRGQRP-UHFFFAOYSA-N
XLogP-1.48
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-1.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,9-dihydro-1H-purine-6,8-dione?
The IUPAC name of 2-amino-7,9-dihydro-1H-purine-6,8-dione (CID 135420630) is 2-amino-7,9-dihydro-1H-purine-6,8-dione.
What is the SMILES notation for 2-amino-7,9-dihydro-1H-purine-6,8-dione?
The canonical SMILES for 2-amino-7,9-dihydro-1H-purine-6,8-dione is Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7,9-dihydro-1H-purine-6,8-dione?
The InChIKey is CLGFIVUFZRGQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12).
What are the key properties of 2-amino-7,9-dihydro-1H-purine-6,8-dione?
2-amino-7,9-dihydro-1H-purine-6,8-dione has a molecular weight of 167.13 g/mol, XLogP of -1.48, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,9-dihydro-1H-purine-6,8-dione is sourced from PubChem (CID 135420630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).