2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one

C8H12N6O — CID 68648603

IUPAC2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one
SMILESNC=CC1=CNC2=NC(N)NC(=O)C2N1
InChIInChI=1S/C8H12N6O/c9-2-1-4-3-11-6-5(12-4)7(15)14-8(10)13-6/h1-3,5,8,12H,9-10H2,(H,11,13)(H,14,15)
InChIKeyXIKJRUGKXPXGQX-UHFFFAOYSA-N
MW208.23 g/mol
LogP-2.37
Rot. Bonds1

About 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one

2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one (PubChem CID 68648603) has the molecular formula C8H12N6O and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one
PubChem CID68648603
Molecular FormulaC8H12N6O
Molecular Weight208.23 g/mol
Exact Mass208.11
IUPAC Name2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one
SMILESNC=CC1=CNC2=NC(N)NC(=O)C2N1
InChIInChI=1S/C8H12N6O/c9-2-1-4-3-11-6-5(12-4)7(15)14-8(10)13-6/h1-3,5,8,12H,9-10H2,(H,11,13)(H,14,15)
InChIKeyXIKJRUGKXPXGQX-UHFFFAOYSA-N
XLogP-2.37
TPSA117.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one?
The IUPAC name of 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one (CID 68648603) is 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one is NC=CC1=CNC2=NC(N)NC(=O)C2N1.
What is the InChIKey of 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one?
The InChIKey is XIKJRUGKXPXGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c9-2-1-4-3-11-6-5(12-4)7(15)14-8(10)13-6/h1-3,5,8,12H,9-10H2,(H,11,13)(H,14,15).
What are the key properties of 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one?
2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one has a molecular weight of 208.23 g/mol, XLogP of -2.37, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one is sourced from PubChem (CID 68648603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).