7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

C13H16N2O2 — CID 121384884

IUPAC7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cnc2c(O)cc(CC)cn2c1=O
InChIInChI=1S/C13H16N2O2/c1-3-5-10-7-14-12-11(16)6-9(4-2)8-15(12)13(10)17/h6-8,16H,3-5H2,1-2H3
InChIKeyYNBGDUPBKBGENI-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.91
Rot. Bonds3

About 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384884) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
PubChem CID121384884
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cnc2c(O)cc(CC)cn2c1=O
InChIInChI=1S/C13H16N2O2/c1-3-5-10-7-14-12-11(16)6-9(4-2)8-15(12)13(10)17/h6-8,16H,3-5H2,1-2H3
InChIKeyYNBGDUPBKBGENI-UHFFFAOYSA-N
XLogP1.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (CID 121384884) is 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is CCCc1cnc2c(O)cc(CC)cn2c1=O.
What is the InChIKey of 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YNBGDUPBKBGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-5-10-7-14-12-11(16)6-9(4-2)8-15(12)13(10)17/h6-8,16H,3-5H2,1-2H3.
What are the key properties of 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 232.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).