6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid

C16H13N7O4S — CID 68768556

IUPAC6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid
SMILESNc1ncnc2nc(-c3cccnc3)c(-c3ccccn3)nc12.O=S(=O)(O)O
InChIInChI=1S/C16H11N7.H2O4S/c17-15-14-16(21-9-20-15)23-12(10-4-3-6-18-8-10)13(22-14)11-5-1-2-7-19-11;1-5(2,3)4/h1-9H,(H2,17,20,21,23);(H2,1,2,3,4)
InChIKeySSRGYVKDIRZTNL-UHFFFAOYSA-N
MW399.39 g/mol
LogP1.47
Rot. Bonds2

About 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid

6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid (PubChem CID 68768556) has the molecular formula C16H13N7O4S and a molecular weight of 399.39 g/mol. Its IUPAC name is 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid.

Molecular Properties

Compound Name6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid
PubChem CID68768556
Molecular FormulaC16H13N7O4S
Molecular Weight399.39 g/mol
Exact Mass399.07
IUPAC Name6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid
SMILESNc1ncnc2nc(-c3cccnc3)c(-c3ccccn3)nc12.O=S(=O)(O)O
InChIInChI=1S/C16H11N7.H2O4S/c17-15-14-16(21-9-20-15)23-12(10-4-3-6-18-8-10)13(22-14)11-5-1-2-7-19-11;1-5(2,3)4/h1-9H,(H2,17,20,21,23);(H2,1,2,3,4)
InChIKeySSRGYVKDIRZTNL-UHFFFAOYSA-N
XLogP1.47
TPSA177.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
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;methanesulfonic acid
CID 86594138
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide
CID 69016478
6-phenylpteridin-4-amine
CID 10513277
4-amino-6-phenylpteridine-7-carboxamide
CID 71406760
4-pyridin-2-yl-5-pyridin-3-yl-1H-pyrazol-3-amine
CID 80521247
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
1-methyl-4-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-amine
CID 80521128
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
5,8-diphenyl-2,3-dipyridin-2-ylquinoxaline
CID 58161745
5-(4-methylphenyl)sulfonyl-2-pyridin-2-yl-4-pyridin-3-ylpyrimidine
CID 4575604
3-bromo-5-pyridin-3-ylpyrazin-2-amine
CID 139409463

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid?
The IUPAC name of 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid (CID 68768556) is 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid.
What is the SMILES notation for 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid?
The canonical SMILES for 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid is Nc1ncnc2nc(-c3cccnc3)c(-c3ccccn3)nc12.O=S(=O)(O)O.
What is the InChIKey of 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid?
The InChIKey is SSRGYVKDIRZTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7.H2O4S/c17-15-14-16(21-9-20-15)23-12(10-4-3-6-18-8-10)13(22-14)11-5-1-2-7-19-11;1-5(2,3)4/h1-9H,(H2,17,20,21,23);(H2,1,2,3,4).
What are the key properties of 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid?
6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid has a molecular weight of 399.39 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid is sourced from PubChem (CID 68768556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).