2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid

C8H9N5O3 — CID 135488841

IUPAC2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid
SMILESCN1CC(C(=O)O)=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C8H9N5O3/c1-13-2-3(7(15)16)10-4-5(13)11-8(9)12-6(4)14/h2H2,1H3,(H,15,16)(H3,9,11,12,14)
InChIKeyLLLLJZKILITAII-UHFFFAOYSA-N
MW223.19 g/mol
LogP-1.04
Rot. Bonds1

About 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid

2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid (PubChem CID 135488841) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid
PubChem CID135488841
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid
SMILESCN1CC(C(=O)O)=Nc2c1nc(N)[nH]c2=O
InChIInChI=1S/C8H9N5O3/c1-13-2-3(7(15)16)10-4-5(13)11-8(9)12-6(4)14/h2H2,1H3,(H,15,16)(H3,9,11,12,14)
InChIKeyLLLLJZKILITAII-UHFFFAOYSA-N
XLogP-1.04
TPSA124.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid?
The IUPAC name of 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid (CID 135488841) is 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid?
The canonical SMILES for 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid is CN1CC(C(=O)O)=Nc2c1nc(N)[nH]c2=O.
What is the InChIKey of 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid?
The InChIKey is LLLLJZKILITAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3/c1-13-2-3(7(15)16)10-4-5(13)11-8(9)12-6(4)14/h2H2,1H3,(H,15,16)(H3,9,11,12,14).
What are the key properties of 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid?
2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid has a molecular weight of 223.19 g/mol, XLogP of -1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-4-oxo-3,7-dihydropteridine-6-carboxylic acid is sourced from PubChem (CID 135488841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).