6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione

C13H16N4O3 — CID 56782712

IUPAC6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(OCc2cc(=O)n(C)c(=O)n2C)nnc1C
InChIInChI=1S/C13H16N4O3/c1-8-5-11(15-14-9(8)2)20-7-10-6-12(18)17(4)13(19)16(10)3/h5-6H,7H2,1-4H3
InChIKeyFYORLQBQYZLQTO-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.07
Rot. Bonds3

About 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 56782712) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID56782712
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(OCc2cc(=O)n(C)c(=O)n2C)nnc1C
InChIInChI=1S/C13H16N4O3/c1-8-5-11(15-14-9(8)2)20-7-10-6-12(18)17(4)13(19)16(10)3/h5-6H,7H2,1-4H3
InChIKeyFYORLQBQYZLQTO-UHFFFAOYSA-N
XLogP0.07
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 56782712) is 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione is Cc1cc(OCc2cc(=O)n(C)c(=O)n2C)nnc1C.
What is the InChIKey of 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FYORLQBQYZLQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-5-11(15-14-9(8)2)20-7-10-6-12(18)17(4)13(19)16(10)3/h5-6H,7H2,1-4H3.
What are the key properties of 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 276.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-dimethylpyridazin-3-yl)oxymethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 56782712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).