2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione

C8H7N3O2 — CID 115014799

IUPAC2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione
SMILESNc1cc(=O)n2ccc(=O)cc2[nH]1
InChIInChI=1S/C8H7N3O2/c9-6-4-8(13)11-2-1-5(12)3-7(11)10-6/h1-4,10H,9H2
InChIKeyBGCGBOHSMYCOMH-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.43
Rot. Bonds

About 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione

2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione (PubChem CID 115014799) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione.

Molecular Properties

Compound Name2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione
PubChem CID115014799
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione
SMILESNc1cc(=O)n2ccc(=O)cc2[nH]1
InChIInChI=1S/C8H7N3O2/c9-6-4-8(13)11-2-1-5(12)3-7(11)10-6/h1-4,10H,9H2
InChIKeyBGCGBOHSMYCOMH-UHFFFAOYSA-N
XLogP-0.43
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione?
The IUPAC name of 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione (CID 115014799) is 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione.
What is the SMILES notation for 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione?
The canonical SMILES for 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione is Nc1cc(=O)n2ccc(=O)cc2[nH]1.
What is the InChIKey of 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione?
The InChIKey is BGCGBOHSMYCOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-6-4-8(13)11-2-1-5(12)3-7(11)10-6/h1-4,10H,9H2.
What are the key properties of 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione?
2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione has a molecular weight of 177.16 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-pyrido[1,2-a]pyrimidine-4,8-dione is sourced from PubChem (CID 115014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).