2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione

C6H7N5O2 — CID 136648281

IUPAC2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione
SMILESNC1=NC2=NCC(=O)NC2C(=O)N1
InChIInChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h3H,1H2,(H,9,12)(H3,7,8,10,11,13)
InChIKeyWBZKQFAVPDYTLF-UHFFFAOYSA-N
MW181.16 g/mol
LogP-2.67
Rot. Bonds

About 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione

2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione (PubChem CID 136648281) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione.

Molecular Properties

Compound Name2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione
PubChem CID136648281
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione
SMILESNC1=NC2=NCC(=O)NC2C(=O)N1
InChIInChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h3H,1H2,(H,9,12)(H3,7,8,10,11,13)
InChIKeyWBZKQFAVPDYTLF-UHFFFAOYSA-N
XLogP-2.67
TPSA108.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-2.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione?
The IUPAC name of 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione (CID 136648281) is 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione.
What is the SMILES notation for 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione?
The canonical SMILES for 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione is NC1=NC2=NCC(=O)NC2C(=O)N1.
What is the InChIKey of 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione?
The InChIKey is WBZKQFAVPDYTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c7-6-10-4-3(5(13)11-6)9-2(12)1-8-4/h3H,1H2,(H,9,12)(H3,7,8,10,11,13).
What are the key properties of 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione?
2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione has a molecular weight of 181.16 g/mol, XLogP of -2.67, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,4a,5,7-tetrahydropteridine-4,6-dione is sourced from PubChem (CID 136648281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).