2-amino-3H-pteridin-4-one

C6H5N5O — CID 135398660

IUPAC2-amino-3H-pteridin-4-one
SMILESNc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChIKeyHNXQXTQTPAJEJL-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.70
Rot. Bonds

About 2-amino-3H-pteridin-4-one

2-amino-3H-pteridin-4-one (PubChem CID 135398660) has the molecular formula C6H5N5O and a molecular weight of 163.14 g/mol. Its IUPAC name is 2-amino-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-3H-pteridin-4-one
PubChem CID135398660
Molecular FormulaC6H5N5O
Molecular Weight163.14 g/mol
Exact Mass163.05
IUPAC Name2-amino-3H-pteridin-4-one
SMILESNc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChIKeyHNXQXTQTPAJEJL-UHFFFAOYSA-N
XLogP-0.70
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-pteridin-4-one?
The IUPAC name of 2-amino-3H-pteridin-4-one (CID 135398660) is 2-amino-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-3H-pteridin-4-one?
The canonical SMILES for 2-amino-3H-pteridin-4-one is Nc1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-pteridin-4-one?
The InChIKey is HNXQXTQTPAJEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12).
What are the key properties of 2-amino-3H-pteridin-4-one?
2-amino-3H-pteridin-4-one has a molecular weight of 163.14 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-pteridin-4-one is sourced from PubChem (CID 135398660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).