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

C13H19N3O — CID 115039709

IUPAC7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCc2nc(C3CCNC3)cc(=O)n2C1
InChIInChI=1S/C13H19N3O/c1-9-2-3-12-15-11(10-4-5-14-7-10)6-13(17)16(12)8-9/h6,9-10,14H,2-5,7-8H2,1H3
InChIKeyVKINWMTWLFWFMZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.90
Rot. Bonds1

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

7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115039709) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID115039709
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCc2nc(C3CCNC3)cc(=O)n2C1
InChIInChI=1S/C13H19N3O/c1-9-2-3-12-15-11(10-4-5-14-7-10)6-13(17)16(12)8-9/h6,9-10,14H,2-5,7-8H2,1H3
InChIKeyVKINWMTWLFWFMZ-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

2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115025318
9-methyl-2-piperidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115054823
6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117153777
6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053152
6-methyl-3-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 83964908
8-methoxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054719
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136848975
3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054586
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 110224195
2-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82604310
2-fluoro-4-methyl-6-pyrrolidin-3-ylpyridine
CID 138636032

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 115039709) is 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCc2nc(C3CCNC3)cc(=O)n2C1.
What is the InChIKey of 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VKINWMTWLFWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-2-3-12-15-11(10-4-5-14-7-10)6-13(17)16(12)8-9/h6,9-10,14H,2-5,7-8H2,1H3.
What are the key properties of 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
7-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 7-methyl-2-pyrrolidin-3-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115039709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).