8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

C14H19N3O2 — CID 121379186

IUPAC8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C14H19N3O2/c1-4-5-10-8-15-13-12(18)11(9-16(2)3)6-7-17(13)14(10)19/h6-8,18H,4-5,9H2,1-3H3
InChIKeyOONJXAUTGGYUSZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.41
Rot. Bonds4

About 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 121379186) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
PubChem CID121379186
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C14H19N3O2/c1-4-5-10-8-15-13-12(18)11(9-16(2)3)6-7-17(13)14(10)19/h6-8,18H,4-5,9H2,1-3H3
InChIKeyOONJXAUTGGYUSZ-UHFFFAOYSA-N
XLogP1.41
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (CID 121379186) is 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is CCCc1cnc2c(O)c(CN(C)C)ccn2c1=O.
What is the InChIKey of 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OONJXAUTGGYUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-5-10-8-15-13-12(18)11(9-16(2)3)6-7-17(13)14(10)19/h6-8,18H,4-5,9H2,1-3H3.
What are the key properties of 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121379186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).