3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one

C12H15N3O2 — CID 135873133

IUPAC3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(O)nc2nc(C)ccn2c1=O
InChIInChI=1S/C12H15N3O2/c1-3-4-5-9-10(16)14-12-13-8(2)6-7-15(12)11(9)17/h6-7,16H,3-5H2,1-2H3
InChIKeyKIXQDDKMVREBEZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.45
Rot. Bonds3

About 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one

3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one (PubChem CID 135873133) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one
PubChem CID135873133
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(O)nc2nc(C)ccn2c1=O
InChIInChI=1S/C12H15N3O2/c1-3-4-5-9-10(16)14-12-13-8(2)6-7-15(12)11(9)17/h6-7,16H,3-5H2,1-2H3
InChIKeyKIXQDDKMVREBEZ-UHFFFAOYSA-N
XLogP1.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one (CID 135873133) is 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one is CCCCc1c(O)nc2nc(C)ccn2c1=O.
What is the InChIKey of 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is KIXQDDKMVREBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-4-5-9-10(16)14-12-13-8(2)6-7-15(12)11(9)17/h6-7,16H,3-5H2,1-2H3.
What are the key properties of 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one?
3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135873133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).