3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid

C19H17N5O5S — CID 86594138

IUPAC3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1ncnc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc12
InChIInChI=1S/C18H13N5O2.CH4O3S/c19-17-16-18(21-9-20-17)23-15(11-4-2-6-13(25)8-11)14(22-16)10-3-1-5-12(24)7-10;1-5(2,3)4/h1-9,24-25H,(H2,19,20,21,23);1H3,(H,2,3,4)
InChIKeyUMNIVNGBBIIEFX-UHFFFAOYSA-N
MW427.44 g/mol
LogP2.25
Rot. Bonds2

About 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid

3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid (PubChem CID 86594138) has the molecular formula C19H17N5O5S and a molecular weight of 427.44 g/mol. Its IUPAC name is 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid.

Molecular Properties

Compound Name3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid
PubChem CID86594138
Molecular FormulaC19H17N5O5S
Molecular Weight427.44 g/mol
Exact Mass427.10
IUPAC Name3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1ncnc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc12
InChIInChI=1S/C18H13N5O2.CH4O3S/c19-17-16-18(21-9-20-17)23-15(11-4-2-6-13(25)8-11)14(22-16)10-3-1-5-12(24)7-10;1-5(2,3)4/h1-9,24-25H,(H2,19,20,21,23);1H3,(H,2,3,4)
InChIKeyUMNIVNGBBIIEFX-UHFFFAOYSA-N
XLogP2.25
TPSA172.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide
CID 69016478
3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol
CID 170275969
3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;dihydrochloride
CID 18455700
6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid
CID 68768556
4-amino-6-phenylpteridine-7-carboxamide
CID 71406760
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol
CID 176623250
6-phenylpteridin-4-amine
CID 10513277
2-amino-5-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid
CID 105488937
3-(2,3-dimethyl-4-pyridinyl)phenol
CID 20564329
2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
CID 115028666
3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
CID 115037876

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid?
The IUPAC name of 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid (CID 86594138) is 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid.
What is the SMILES notation for 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid?
The canonical SMILES for 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid is CS(=O)(=O)O.Nc1ncnc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc12.
What is the InChIKey of 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid?
The InChIKey is UMNIVNGBBIIEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2.CH4O3S/c19-17-16-18(21-9-20-17)23-15(11-4-2-6-13(25)8-11)14(22-16)10-3-1-5-12(24)7-10;1-5(2,3)4/h1-9,24-25H,(H2,19,20,21,23);1H3,(H,2,3,4).
What are the key properties of 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid?
3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid has a molecular weight of 427.44 g/mol, XLogP of 2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid is sourced from PubChem (CID 86594138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).