2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione

C15H15N5O4 — CID 175169311

IUPAC2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione
SMILESCOc1cc(OC)cc(-c2nc3c(=O)[nH]c(N)nc3n(C)c2=O)c1
InChIInChI=1S/C15H15N5O4/c1-20-12-11(13(21)19-15(16)18-12)17-10(14(20)22)7-4-8(23-2)6-9(5-7)24-3/h4-6H,1-3H3,(H3,16,18,19,21)
InChIKeyOQJRTKXRZGAGJP-UHFFFAOYSA-N
MW329.32 g/mol
LogP0.28
Rot. Bonds3

About 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione

2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione (PubChem CID 175169311) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione
PubChem CID175169311
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione
SMILESCOc1cc(OC)cc(-c2nc3c(=O)[nH]c(N)nc3n(C)c2=O)c1
InChIInChI=1S/C15H15N5O4/c1-20-12-11(13(21)19-15(16)18-12)17-10(14(20)22)7-4-8(23-2)6-9(5-7)24-3/h4-6H,1-3H3,(H3,16,18,19,21)
InChIKeyOQJRTKXRZGAGJP-UHFFFAOYSA-N
XLogP0.28
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione?
The IUPAC name of 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione (CID 175169311) is 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione is COc1cc(OC)cc(-c2nc3c(=O)[nH]c(N)nc3n(C)c2=O)c1.
What is the InChIKey of 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione?
The InChIKey is OQJRTKXRZGAGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-20-12-11(13(21)19-15(16)18-12)17-10(14(20)22)7-4-8(23-2)6-9(5-7)24-3/h4-6H,1-3H3,(H3,16,18,19,21).
What are the key properties of 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione?
2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione has a molecular weight of 329.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,5-dimethoxyphenyl)-8-methyl-3H-pteridine-4,7-dione is sourced from PubChem (CID 175169311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).