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

C11H13N3O2 — CID 135587581

IUPAC3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(O)nc2ncccn2c1=O
InChIInChI=1S/C11H13N3O2/c1-2-3-5-8-9(15)13-11-12-6-4-7-14(11)10(8)16/h4,6-7,15H,2-3,5H2,1H3
InChIKeyKHIRYGQWTSOVRA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.14
Rot. Bonds3

About 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one

3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135587581) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one
PubChem CID135587581
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(O)nc2ncccn2c1=O
InChIInChI=1S/C11H13N3O2/c1-2-3-5-8-9(15)13-11-12-6-4-7-14(11)10(8)16/h4,6-7,15H,2-3,5H2,1H3
InChIKeyKHIRYGQWTSOVRA-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 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one (CID 135587581) is 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one is CCCCc1c(O)nc2ncccn2c1=O.
What is the InChIKey of 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is KHIRYGQWTSOVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-5-8-9(15)13-11-12-6-4-7-14(11)10(8)16/h4,6-7,15H,2-3,5H2,1H3.
What are the key properties of 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one?
3-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 3-butyl-2-hydroxypyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135587581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).