3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol

C19H16N6O2 — CID 170275969

IUPAC3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol
SMILESCNc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1
InChIInChI=1S/C19H16N6O2/c1-21-19-24-17(20)16-18(25-19)23-15(11-5-3-7-13(27)9-11)14(22-16)10-4-2-6-12(26)8-10/h2-9,26-27H,1H3,(H3,20,21,23,24,25)
InChIKeyXZIBOPHKHPYJFF-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.79
Rot. Bonds3

About 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol

3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol (PubChem CID 170275969) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol
PubChem CID170275969
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol
SMILESCNc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1
InChIInChI=1S/C19H16N6O2/c1-21-19-24-17(20)16-18(25-19)23-15(11-5-3-7-13(27)9-11)14(22-16)10-4-2-6-12(26)8-10/h2-9,26-27H,1H3,(H3,20,21,23,24,25)
InChIKeyXZIBOPHKHPYJFF-UHFFFAOYSA-N
XLogP2.79
TPSA130.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;dihydrochloride
CID 18455700
3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid
CID 86594138
3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide
CID 69016478
3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol
CID 176623250
3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol
CID 58329354
6-(3-bromophenyl)pteridine-2,4,7-triamine
CID 118987043
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
3-[4-amino-1-methyl-6-(methylamino)pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 166787545
3-(4-tert-butyl-6-hydrazinylpyrimidin-2-yl)phenol
CID 62250551
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine
CID 15540531
4-amino-2-(3-hydroxyphenyl)phenol;hydrochloride
CID 23514495

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol?
The IUPAC name of 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol (CID 170275969) is 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol.
What is the SMILES notation for 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol?
The canonical SMILES for 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol is CNc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1.
What is the InChIKey of 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol?
The InChIKey is XZIBOPHKHPYJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-21-19-24-17(20)16-18(25-19)23-15(11-5-3-7-13(27)9-11)14(22-16)10-4-2-6-12(26)8-10/h2-9,26-27H,1H3,(H3,20,21,23,24,25).
What are the key properties of 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol?
3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol has a molecular weight of 360.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol is sourced from PubChem (CID 170275969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).