2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid

C10H11N5O4 — CID 171384463

IUPAC2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid
SMILESCC(C)Oc1nc(N)nc2[nH]c(=O)c(C(=O)O)nc12
InChIInChI=1S/C10H11N5O4/c1-3(2)19-8-4-6(14-10(11)15-8)13-7(16)5(12-4)9(17)18/h3H,1-2H3,(H,17,18)(H3,11,13,14,15,16)
InChIKeyIYLQUQCQEURIND-UHFFFAOYSA-N
MW265.23 g/mol
LogP-0.22
Rot. Bonds3

About 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid

2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid (PubChem CID 171384463) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid
PubChem CID171384463
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid
SMILESCC(C)Oc1nc(N)nc2[nH]c(=O)c(C(=O)O)nc12
InChIInChI=1S/C10H11N5O4/c1-3(2)19-8-4-6(14-10(11)15-8)13-7(16)5(12-4)9(17)18/h3H,1-2H3,(H,17,18)(H3,11,13,14,15,16)
InChIKeyIYLQUQCQEURIND-UHFFFAOYSA-N
XLogP-0.22
TPSA144.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid?
The IUPAC name of 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid (CID 171384463) is 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid?
The canonical SMILES for 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid is CC(C)Oc1nc(N)nc2[nH]c(=O)c(C(=O)O)nc12.
What is the InChIKey of 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid?
The InChIKey is IYLQUQCQEURIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-3(2)19-8-4-6(14-10(11)15-8)13-7(16)5(12-4)9(17)18/h3H,1-2H3,(H,17,18)(H3,11,13,14,15,16).
What are the key properties of 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid?
2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylic acid is sourced from PubChem (CID 171384463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).