9-methoxypyrimido[1,6-a]pyrimidin-4-one

C8H7N3O2 — CID 14868463

IUPAC9-methoxypyrimido[1,6-a]pyrimidin-4-one
SMILESCOc1cncn2c(=O)ccnc12
InChIInChI=1S/C8H7N3O2/c1-13-6-4-9-5-11-7(12)2-3-10-8(6)11/h2-5H,1H3
InChIKeyBNGBRULOUJQJKW-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.10
Rot. Bonds1

About 9-methoxypyrimido[1,6-a]pyrimidin-4-one

9-methoxypyrimido[1,6-a]pyrimidin-4-one (PubChem CID 14868463) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 9-methoxypyrimido[1,6-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methoxypyrimido[1,6-a]pyrimidin-4-one
PubChem CID14868463
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name9-methoxypyrimido[1,6-a]pyrimidin-4-one
SMILESCOc1cncn2c(=O)ccnc12
InChIInChI=1S/C8H7N3O2/c1-13-6-4-9-5-11-7(12)2-3-10-8(6)11/h2-5H,1H3
InChIKeyBNGBRULOUJQJKW-UHFFFAOYSA-N
XLogP0.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxypyrimido[1,6-a]pyrimidin-4-one?
The IUPAC name of 9-methoxypyrimido[1,6-a]pyrimidin-4-one (CID 14868463) is 9-methoxypyrimido[1,6-a]pyrimidin-4-one.
What is the SMILES notation for 9-methoxypyrimido[1,6-a]pyrimidin-4-one?
The canonical SMILES for 9-methoxypyrimido[1,6-a]pyrimidin-4-one is COc1cncn2c(=O)ccnc12.
What is the InChIKey of 9-methoxypyrimido[1,6-a]pyrimidin-4-one?
The InChIKey is BNGBRULOUJQJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-6-4-9-5-11-7(12)2-3-10-8(6)11/h2-5H,1H3.
What are the key properties of 9-methoxypyrimido[1,6-a]pyrimidin-4-one?
9-methoxypyrimido[1,6-a]pyrimidin-4-one has a molecular weight of 177.16 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxypyrimido[1,6-a]pyrimidin-4-one is sourced from PubChem (CID 14868463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).