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

C7H5N3O2 — CID 14294849

IUPAC9-hydroxypyrimido[1,6-a]pyrimidin-4-one
SMILESO=c1ccnc2c(O)cncn12
InChIInChI=1S/C7H5N3O2/c11-5-3-8-4-10-6(12)1-2-9-7(5)10/h1-4,11H
InChIKeySORNEZISJWEFCD-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.20
Rot. Bonds

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

9-hydroxypyrimido[1,6-a]pyrimidin-4-one (PubChem CID 14294849) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 9-hydroxypyrimido[1,6-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxypyrimido[1,6-a]pyrimidin-4-one
PubChem CID14294849
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name9-hydroxypyrimido[1,6-a]pyrimidin-4-one
SMILESO=c1ccnc2c(O)cncn12
InChIInChI=1S/C7H5N3O2/c11-5-3-8-4-10-6(12)1-2-9-7(5)10/h1-4,11H
InChIKeySORNEZISJWEFCD-UHFFFAOYSA-N
XLogP-0.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxypyrimido[1,6-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxypyrimido[1,6-a]pyrimidin-4-one (CID 14294849) is 9-hydroxypyrimido[1,6-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxypyrimido[1,6-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxypyrimido[1,6-a]pyrimidin-4-one is O=c1ccnc2c(O)cncn12.
What is the InChIKey of 9-hydroxypyrimido[1,6-a]pyrimidin-4-one?
The InChIKey is SORNEZISJWEFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-5-3-8-4-10-6(12)1-2-9-7(5)10/h1-4,11H.
What are the key properties of 9-hydroxypyrimido[1,6-a]pyrimidin-4-one?
9-hydroxypyrimido[1,6-a]pyrimidin-4-one has a molecular weight of 163.14 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxypyrimido[1,6-a]pyrimidin-4-one is sourced from PubChem (CID 14294849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).