2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one

C18H13N5O3 — CID 135750206

IUPAC2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one
SMILESNc1nc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c(=O)[nH]1
InChIInChI=1S/C18H13N5O3/c19-18-22-16-15(17(26)23-18)20-13(9-3-1-5-11(24)7-9)14(21-16)10-4-2-6-12(25)8-10/h1-8,24-25H,(H3,19,21,22,23,26)
InChIKeyJLQDCVBDNYDXEU-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.04
Rot. Bonds2

About 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one

2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one (PubChem CID 135750206) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one
PubChem CID135750206
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one
SMILESNc1nc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c(=O)[nH]1
InChIInChI=1S/C18H13N5O3/c19-18-22-16-15(17(26)23-18)20-13(9-3-1-5-11(24)7-9)14(21-16)10-4-2-6-12(25)8-10/h1-8,24-25H,(H3,19,21,22,23,26)
InChIKeyJLQDCVBDNYDXEU-UHFFFAOYSA-N
XLogP2.04
TPSA138.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one?
The IUPAC name of 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one (CID 135750206) is 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one is Nc1nc2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one?
The InChIKey is JLQDCVBDNYDXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c19-18-22-16-15(17(26)23-18)20-13(9-3-1-5-11(24)7-9)14(21-16)10-4-2-6-12(25)8-10/h1-8,24-25H,(H3,19,21,22,23,26).
What are the key properties of 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one?
2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one has a molecular weight of 347.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-bis(3-hydroxyphenyl)-3H-pteridin-4-one is sourced from PubChem (CID 135750206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).