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

C13H15N3O3 — CID 130433396

IUPAC3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-8(17)10-6-14-12-11(18)9(7-15(2)3)4-5-16(12)13(10)19/h4-6,18H,7H2,1-3H3
InChIKeyBLLDGEASBVJMLC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.66
Rot. Bonds3

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

3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 130433396) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID130433396
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C13H15N3O3/c1-8(17)10-6-14-12-11(18)9(7-15(2)3)4-5-16(12)13(10)19/h4-6,18H,7H2,1-3H3
InChIKeyBLLDGEASBVJMLC-UHFFFAOYSA-N
XLogP0.66
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 130433396) is 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is CC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O.
What is the InChIKey of 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BLLDGEASBVJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(17)10-6-14-12-11(18)9(7-15(2)3)4-5-16(12)13(10)19/h4-6,18H,7H2,1-3H3.
What are the key properties of 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 130433396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).