6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione

C9H9N5O2 — CID 106896478

IUPAC6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1cccnn1
InChIInChI=1S/C9H9N5O2/c10-7-4-8(15)12-9(16)14(7)5-6-2-1-3-11-13-6/h1-4H,5,10H2,(H,12,15,16)
InChIKeyJSLRVWCYSNYOCR-UHFFFAOYSA-N
MW219.20 g/mol
LogP-1.04
Rot. Bonds2

About 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione

6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 106896478) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID106896478
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1cccnn1
InChIInChI=1S/C9H9N5O2/c10-7-4-8(15)12-9(16)14(7)5-6-2-1-3-11-13-6/h1-4H,5,10H2,(H,12,15,16)
InChIKeyJSLRVWCYSNYOCR-UHFFFAOYSA-N
XLogP-1.04
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione (CID 106896478) is 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1Cc1cccnn1.
What is the InChIKey of 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is JSLRVWCYSNYOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-7-4-8(15)12-9(16)14(7)5-6-2-1-3-11-13-6/h1-4H,5,10H2,(H,12,15,16).
What are the key properties of 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 219.20 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(pyridazin-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106896478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).