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

C18H14BrN5O2 — CID 69016478

IUPAC3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide
SMILESBr.Nc1ncnc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc12
InChIInChI=1S/C18H13N5O2.BrH/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;/h1-9,24-25H,(H2,19,20,21,23);1H
InChIKeySCNYOAPAAXTMJF-UHFFFAOYSA-N
MW412.25 g/mol
LogP3.33
Rot. Bonds2

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

3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide (PubChem CID 69016478) has the molecular formula C18H14BrN5O2 and a molecular weight of 412.25 g/mol. Its IUPAC name is 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide.

Molecular Properties

Compound Name3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide
PubChem CID69016478
Molecular FormulaC18H14BrN5O2
Molecular Weight412.25 g/mol
Exact Mass411.03
IUPAC Name3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide
SMILESBr.Nc1ncnc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc12
InChIInChI=1S/C18H13N5O2.BrH/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;/h1-9,24-25H,(H2,19,20,21,23);1H
InChIKeySCNYOAPAAXTMJF-UHFFFAOYSA-N
XLogP3.33
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid
CID 86594138
3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;dihydrochloride
CID 18455700
3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol
CID 170275969
4-amino-6-phenylpteridine-7-carboxamide
CID 71406760
3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol
CID 176623250
6-pyridin-2-yl-7-pyridin-3-ylpteridin-4-amine;sulfuric acid
CID 68768556
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
6-phenylpteridin-4-amine
CID 10513277
3-[2,3-bis(3-aminophenyl)phenyl]phenol
CID 139931818
4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
CID 23514495
3-(1-amino-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-5-yl)phenol
CID 59311746
3-(5-amino-1,3-benzoxazol-2-yl)phenol
CID 131880958

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide?
The IUPAC name of 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide (CID 69016478) is 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide.
What is the SMILES notation for 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide?
The canonical SMILES for 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide is Br.Nc1ncnc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc12.
What is the InChIKey of 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide?
The InChIKey is SCNYOAPAAXTMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2.BrH/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;/h1-9,24-25H,(H2,19,20,21,23);1H.
What are the key properties of 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide?
3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide has a molecular weight of 412.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide is sourced from PubChem (CID 69016478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).