2-amino-3,5-dihydropteridine-4,6-dione;hydrate

C6H7N5O3 — CID 135465063

IUPAC2-amino-3,5-dihydropteridine-4,6-dione;hydrate
SMILESNc1nc2ncc(=O)[nH]c2c(=O)[nH]1.O
InChIInChI=1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2
InChIKeyGXYCFNCAIXIUMR-UHFFFAOYSA-N
MW197.15 g/mol
LogP-2.24
Rot. Bonds

About 2-amino-3,5-dihydropteridine-4,6-dione;hydrate

2-amino-3,5-dihydropteridine-4,6-dione;hydrate (PubChem CID 135465063) has the molecular formula C6H7N5O3 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-amino-3,5-dihydropteridine-4,6-dione;hydrate.

Molecular Properties

Compound Name2-amino-3,5-dihydropteridine-4,6-dione;hydrate
PubChem CID135465063
Molecular FormulaC6H7N5O3
Molecular Weight197.15 g/mol
Exact Mass197.05
IUPAC Name2-amino-3,5-dihydropteridine-4,6-dione;hydrate
SMILESNc1nc2ncc(=O)[nH]c2c(=O)[nH]1.O
InChIInChI=1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2
InChIKeyGXYCFNCAIXIUMR-UHFFFAOYSA-N
XLogP-2.24
TPSA149.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dihydropteridine-4,6-dione;hydrate?
The IUPAC name of 2-amino-3,5-dihydropteridine-4,6-dione;hydrate (CID 135465063) is 2-amino-3,5-dihydropteridine-4,6-dione;hydrate.
What is the SMILES notation for 2-amino-3,5-dihydropteridine-4,6-dione;hydrate?
The canonical SMILES for 2-amino-3,5-dihydropteridine-4,6-dione;hydrate is Nc1nc2ncc(=O)[nH]c2c(=O)[nH]1.O.
What is the InChIKey of 2-amino-3,5-dihydropteridine-4,6-dione;hydrate?
The InChIKey is GXYCFNCAIXIUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2.H2O/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4;/h1H,(H,9,12)(H3,7,8,10,11,13);1H2.
What are the key properties of 2-amino-3,5-dihydropteridine-4,6-dione;hydrate?
2-amino-3,5-dihydropteridine-4,6-dione;hydrate has a molecular weight of 197.15 g/mol, XLogP of -2.24, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dihydropteridine-4,6-dione;hydrate is sourced from PubChem (CID 135465063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).