2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid

C11H13N5O4 — CID 171384653

IUPAC2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid
SMILESCC(C)Oc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C
InChIInChI=1S/C11H13N5O4/c1-4(2)20-8-5-7(14-11(12)15-8)16(3)9(17)6(13-5)10(18)19/h4H,1-3H3,(H,18,19)(H2,12,14,15)
InChIKeyBKZZAIKRLFWAQA-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.21
Rot. Bonds3

About 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid

2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid (PubChem CID 171384653) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid
PubChem CID171384653
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid
SMILESCC(C)Oc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C
InChIInChI=1S/C11H13N5O4/c1-4(2)20-8-5-7(14-11(12)15-8)16(3)9(17)6(13-5)10(18)19/h4H,1-3H3,(H,18,19)(H2,12,14,15)
InChIKeyBKZZAIKRLFWAQA-UHFFFAOYSA-N
XLogP-0.21
TPSA133.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid?
The IUPAC name of 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid (CID 171384653) is 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid?
The canonical SMILES for 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid is CC(C)Oc1nc(N)nc2c1nc(C(=O)O)c(=O)n2C.
What is the InChIKey of 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid?
The InChIKey is BKZZAIKRLFWAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-4(2)20-8-5-7(14-11(12)15-8)16(3)9(17)6(13-5)10(18)19/h4H,1-3H3,(H,18,19)(H2,12,14,15).
What are the key properties of 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid?
2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-7-oxo-4-propan-2-yloxypteridine-6-carboxylic acid is sourced from PubChem (CID 171384653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).