2-(2,4,7-triaminopteridin-6-yl)phenol

C12H11N7O — CID 135735591

IUPAC2-(2,4,7-triaminopteridin-6-yl)phenol
SMILESNc1nc(N)c2nc(-c3ccccc3O)c(N)nc2n1
InChIInChI=1S/C12H11N7O/c13-9-7(5-3-1-2-4-6(5)20)16-8-10(14)18-12(15)19-11(8)17-9/h1-4,20H,(H6,13,14,15,17,18,19)
InChIKeyMMLQUJJYPKLMBP-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.54
Rot. Bonds1

About 2-(2,4,7-triaminopteridin-6-yl)phenol

2-(2,4,7-triaminopteridin-6-yl)phenol (PubChem CID 135735591) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-(2,4,7-triaminopteridin-6-yl)phenol.

Molecular Properties

Compound Name2-(2,4,7-triaminopteridin-6-yl)phenol
PubChem CID135735591
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name2-(2,4,7-triaminopteridin-6-yl)phenol
SMILESNc1nc(N)c2nc(-c3ccccc3O)c(N)nc2n1
InChIInChI=1S/C12H11N7O/c13-9-7(5-3-1-2-4-6(5)20)16-8-10(14)18-12(15)19-11(8)17-9/h1-4,20H,(H6,13,14,15,17,18,19)
InChIKeyMMLQUJJYPKLMBP-UHFFFAOYSA-N
XLogP0.54
TPSA149.85 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,7-triaminopteridin-6-yl)phenol?
The IUPAC name of 2-(2,4,7-triaminopteridin-6-yl)phenol (CID 135735591) is 2-(2,4,7-triaminopteridin-6-yl)phenol.
What is the SMILES notation for 2-(2,4,7-triaminopteridin-6-yl)phenol?
The canonical SMILES for 2-(2,4,7-triaminopteridin-6-yl)phenol is Nc1nc(N)c2nc(-c3ccccc3O)c(N)nc2n1.
What is the InChIKey of 2-(2,4,7-triaminopteridin-6-yl)phenol?
The InChIKey is MMLQUJJYPKLMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c13-9-7(5-3-1-2-4-6(5)20)16-8-10(14)18-12(15)19-11(8)17-9/h1-4,20H,(H6,13,14,15,17,18,19).
What are the key properties of 2-(2,4,7-triaminopteridin-6-yl)phenol?
2-(2,4,7-triaminopteridin-6-yl)phenol has a molecular weight of 269.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,7-triaminopteridin-6-yl)phenol is sourced from PubChem (CID 135735591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).