2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid

C8H7N5O4 — CID 135679872

IUPAC2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H7N5O4/c1-13-4-2(5(14)12-8(9)11-4)10-3(6(13)15)7(16)17/h1H3,(H,16,17)(H3,9,11,12,14)
InChIKeyYJAYGCWNOOVXSV-UHFFFAOYSA-N
MW237.17 g/mol
LogP-1.70
Rot. Bonds1

About 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid

2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid (PubChem CID 135679872) has the molecular formula C8H7N5O4 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
PubChem CID135679872
Molecular FormulaC8H7N5O4
Molecular Weight237.17 g/mol
Exact Mass237.05
IUPAC Name2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)nc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H7N5O4/c1-13-4-2(5(14)12-8(9)11-4)10-3(6(13)15)7(16)17/h1H3,(H,16,17)(H3,9,11,12,14)
InChIKeyYJAYGCWNOOVXSV-UHFFFAOYSA-N
XLogP-1.70
TPSA143.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid?
The IUPAC name of 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid (CID 135679872) is 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid?
The canonical SMILES for 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid is Cn1c(=O)c(C(=O)O)nc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid?
The InChIKey is YJAYGCWNOOVXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O4/c1-13-4-2(5(14)12-8(9)11-4)10-3(6(13)15)7(16)17/h1H3,(H,16,17)(H3,9,11,12,14).
What are the key properties of 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid?
2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid has a molecular weight of 237.17 g/mol, XLogP of -1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-4,7-dioxo-3H-pteridine-6-carboxylic acid is sourced from PubChem (CID 135679872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).