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

C18H13N5O2 — CID 135409495

IUPAC4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol
SMILESNc1ncnc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C18H13N5O2/c19-17-16-18(21-9-20-17)23-15(11-3-7-13(25)8-4-11)14(22-16)10-1-5-12(24)6-2-10/h1-9,24-25H,(H2,19,20,21,23)
InChIKeyKVNYNGRTGRITSD-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.75
Rot. Bonds2

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

4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol (PubChem CID 135409495) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol.

Molecular Properties

Compound Name4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol
PubChem CID135409495
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol
SMILESNc1ncnc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C18H13N5O2/c19-17-16-18(21-9-20-17)23-15(11-3-7-13(25)8-4-11)14(22-16)10-1-5-12(24)6-2-10/h1-9,24-25H,(H2,19,20,21,23)
InChIKeyKVNYNGRTGRITSD-UHFFFAOYSA-N
XLogP2.75
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 10427712
CID 10427712
CID 17751063
CID 17751063
CID 135485500
CID 135485500
CID 135492555
CID 135492555
CID 17755613
CID 17755613
CID 135750190
CID 135750190
CID 249363
CID 249363
CID 10088066
CID 10088066
CID 17755300
CID 17755300
CID 135492341
CID 135492341
CID 135610083
CID 135610083
CID 135610084
CID 135610084

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol?
The IUPAC name of 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol (CID 135409495) is 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol.
What is the SMILES notation for 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol?
The canonical SMILES for 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol is Nc1ncnc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc12.
What is the InChIKey of 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol?
The InChIKey is KVNYNGRTGRITSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-17-16-18(21-9-20-17)23-15(11-3-7-13(25)8-4-11)14(22-16)10-1-5-12(24)6-2-10/h1-9,24-25H,(H2,19,20,21,23).
What are the key properties of 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol?
4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol has a molecular weight of 331.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-7-(4-hydroxyphenyl)pteridin-6-yl]phenol is sourced from PubChem (CID 135409495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).