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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Related Compounds

6-amino-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 81427905
6-amino-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
CID 106418326
6-amino-1-(pyridin-1-ium-2-ylmethyl)pyrimidine-2,4-dione
CID 4556467
6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 28603282
2-(pyridazin-3-ylmethyl)isoindole-1,3-dione
CID 66630616
6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 63964773
6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134489893
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
CID 28994143
1-(pyridazin-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 106898351
3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
CID 106897976
4-propan-2-yl-3-(pyridazin-3-ylmethyl)-1H-imidazole-2-thione
CID 106897316
2,5,6-trimethyl-7-(pyridazin-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 106897412

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).