2-amino-8-ethyl-3H-pteridine-4,7-dione

C8H9N5O2 — CID 137221479

IUPAC2-amino-8-ethyl-3H-pteridine-4,7-dione
SMILESCCn1c(=O)cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H9N5O2/c1-2-13-4(14)3-10-5-6(13)11-8(9)12-7(5)15/h3H,2H2,1H3,(H3,9,11,12,15)
InChIKeyJKIHRFZEPXCFDK-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.92
Rot. Bonds1

About 2-amino-8-ethyl-3H-pteridine-4,7-dione

2-amino-8-ethyl-3H-pteridine-4,7-dione (PubChem CID 137221479) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-amino-8-ethyl-3H-pteridine-4,7-dione.

Molecular Properties

Compound Name2-amino-8-ethyl-3H-pteridine-4,7-dione
PubChem CID137221479
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-amino-8-ethyl-3H-pteridine-4,7-dione
SMILESCCn1c(=O)cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C8H9N5O2/c1-2-13-4(14)3-10-5-6(13)11-8(9)12-7(5)15/h3H,2H2,1H3,(H3,9,11,12,15)
InChIKeyJKIHRFZEPXCFDK-UHFFFAOYSA-N
XLogP-0.92
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Isoxanthopterin
CID 135398700
Xanthopterin
CID 135403800
2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one
CID 135454624
2-amino-3-methyl-8H-pteridine-4,7-dione
CID 8853189
2-amino-8-methyl-4,7(3H,8H)-pteridinedione
CID 135508303
4,6-Pteridinedione, 2-amino-3,5-dihydro-, hydrate (1:1)
CID 135465063
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
Luciopterin
CID 192712
1,3-dimethyl-5H-pteridine-2,4,6-trione
CID 4180446
1,3-dimethyl-8H-pteridine-2,4,7-trione
CID 822209
pteridine-4,7(3H,8H)-dione
CID 135478033

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-ethyl-3H-pteridine-4,7-dione?
The IUPAC name of 2-amino-8-ethyl-3H-pteridine-4,7-dione (CID 137221479) is 2-amino-8-ethyl-3H-pteridine-4,7-dione.
What is the SMILES notation for 2-amino-8-ethyl-3H-pteridine-4,7-dione?
The canonical SMILES for 2-amino-8-ethyl-3H-pteridine-4,7-dione is CCn1c(=O)cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-8-ethyl-3H-pteridine-4,7-dione?
The InChIKey is JKIHRFZEPXCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-13-4(14)3-10-5-6(13)11-8(9)12-7(5)15/h3H,2H2,1H3,(H3,9,11,12,15).
What are the key properties of 2-amino-8-ethyl-3H-pteridine-4,7-dione?
2-amino-8-ethyl-3H-pteridine-4,7-dione has a molecular weight of 207.19 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-ethyl-3H-pteridine-4,7-dione is sourced from PubChem (CID 137221479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).