7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one

C11H13N3O2 — CID 135873134

IUPAC7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one
SMILESCCCCc1cnc2nc(O)cc(=O)n2c1
InChIInChI=1S/C11H13N3O2/c1-2-3-4-8-6-12-11-13-9(15)5-10(16)14(11)7-8/h5-7,15H,2-4H2,1H3
InChIKeyUYNXXONRHUAKJA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.14
Rot. Bonds3

About 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one

7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135873134) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one
PubChem CID135873134
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one
SMILESCCCCc1cnc2nc(O)cc(=O)n2c1
InChIInChI=1S/C11H13N3O2/c1-2-3-4-8-6-12-11-13-9(15)5-10(16)14(11)7-8/h5-7,15H,2-4H2,1H3
InChIKeyUYNXXONRHUAKJA-UHFFFAOYSA-N
XLogP1.14
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one (CID 135873134) is 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one is CCCCc1cnc2nc(O)cc(=O)n2c1.
What is the InChIKey of 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is UYNXXONRHUAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-4-8-6-12-11-13-9(15)5-10(16)14(11)7-8/h5-7,15H,2-4H2,1H3.
What are the key properties of 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one?
7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 219.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135873134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).