2-amino-1,7-dihydropurin-6-one

C5H5N5O — CID 135398634

IUPAC2-amino-1,7-dihydropurin-6-one
SMILESNc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKeyUYTPUPDQBNUYGX-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.77
Rot. Bonds

About 2-amino-1,7-dihydropurin-6-one

2-amino-1,7-dihydropurin-6-one (PubChem CID 135398634) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one
PubChem CID135398634
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name2-amino-1,7-dihydropurin-6-one
SMILESNc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKeyUYTPUPDQBNUYGX-UHFFFAOYSA-N
XLogP-0.77
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one (CID 135398634) is 2-amino-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one is Nc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one?
The InChIKey is UYTPUPDQBNUYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11).
What are the key properties of 2-amino-1,7-dihydropurin-6-one?
2-amino-1,7-dihydropurin-6-one has a molecular weight of 151.13 g/mol, XLogP of -0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one is sourced from PubChem (CID 135398634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).