8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C13H19N3O — CID 115039707

IUPAC8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nc(C3CCNC3)cc2=O)C1
InChIInChI=1S/C13H19N3O/c1-9-3-5-16-12(6-9)15-11(7-13(16)17)10-2-4-14-8-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyBDRKTMJVQVEBLH-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.90
Rot. Bonds1

About 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115039707) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID115039707
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCn2c(nc(C3CCNC3)cc2=O)C1
InChIInChI=1S/C13H19N3O/c1-9-3-5-16-12(6-9)15-11(7-13(16)17)10-2-4-14-8-10/h7,9-10,14H,2-6,8H2,1H3
InChIKeyBDRKTMJVQVEBLH-UHFFFAOYSA-N
XLogP0.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054593
7-Fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054646
8-Fluoro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054695
2-(2-methoxyethyl)-6-(1-methylpiperidin-4-yl)pyrimidin-4(3H)-one
CID 135860412
2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
6-{1-[(1R*,5S*,6r)-3-azabicyclo[3.1.0]hex-6-ylmethyl]-4-piperidinyl}-2-methyl-4-pyrimidinol
CID 136112922
2-Piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one
CID 89740166
2-Methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740679
2-Piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89741119
7-Methyl-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054671
2-Methyl-6-(piperidin-3-yl)pyrimidin-4-ol
CID 136072571

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 115039707) is 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCn2c(nc(C3CCNC3)cc2=O)C1.
What is the InChIKey of 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BDRKTMJVQVEBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-5-16-12(6-9)15-11(7-13(16)17)10-2-4-14-8-10/h7,9-10,14H,2-6,8H2,1H3.
What are the key properties of 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115039707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).