2-amino-4-phenylmethoxypteridine-6-carboxylic acid

C14H11N5O3 — CID 11289475

IUPAC2-amino-4-phenylmethoxypteridine-6-carboxylic acid
SMILESNc1nc(OCc2ccccc2)c2nc(C(=O)O)cnc2n1
InChIInChI=1S/C14H11N5O3/c15-14-18-11-10(17-9(6-16-11)13(20)21)12(19-14)22-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,20,21)(H2,15,16,18,19)
InChIKeyWWUKKFJFODOGRI-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.28
Rot. Bonds4

About 2-amino-4-phenylmethoxypteridine-6-carboxylic acid

2-amino-4-phenylmethoxypteridine-6-carboxylic acid (PubChem CID 11289475) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-amino-4-phenylmethoxypteridine-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-phenylmethoxypteridine-6-carboxylic acid
PubChem CID11289475
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name2-amino-4-phenylmethoxypteridine-6-carboxylic acid
SMILESNc1nc(OCc2ccccc2)c2nc(C(=O)O)cnc2n1
InChIInChI=1S/C14H11N5O3/c15-14-18-11-10(17-9(6-16-11)13(20)21)12(19-14)22-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,20,21)(H2,15,16,18,19)
InChIKeyWWUKKFJFODOGRI-UHFFFAOYSA-N
XLogP1.28
TPSA124.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylmethoxypteridine-6-carboxylic acid?
The IUPAC name of 2-amino-4-phenylmethoxypteridine-6-carboxylic acid (CID 11289475) is 2-amino-4-phenylmethoxypteridine-6-carboxylic acid.
What is the SMILES notation for 2-amino-4-phenylmethoxypteridine-6-carboxylic acid?
The canonical SMILES for 2-amino-4-phenylmethoxypteridine-6-carboxylic acid is Nc1nc(OCc2ccccc2)c2nc(C(=O)O)cnc2n1.
What is the InChIKey of 2-amino-4-phenylmethoxypteridine-6-carboxylic acid?
The InChIKey is WWUKKFJFODOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c15-14-18-11-10(17-9(6-16-11)13(20)21)12(19-14)22-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,20,21)(H2,15,16,18,19).
What are the key properties of 2-amino-4-phenylmethoxypteridine-6-carboxylic acid?
2-amino-4-phenylmethoxypteridine-6-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylmethoxypteridine-6-carboxylic acid is sourced from PubChem (CID 11289475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).