2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one

C9H12N2O — CID 141088034

IUPAC2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(=O)N2CC=CC=C2N1
InChIInChI=1S/C9H12N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h2-4,7,10H,5-6H2,1H3
InChIKeyDITJGQNHRWKJCP-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.61
Rot. Bonds

About 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 141088034) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID141088034
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(=O)N2CC=CC=C2N1
InChIInChI=1S/C9H12N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h2-4,7,10H,5-6H2,1H3
InChIKeyDITJGQNHRWKJCP-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,9a-Dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 351417
3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one
CID 53447377
2,3-Dihydro-1H-pyrido[1,2-a]pyrimidin-4(9aH)-one
CID 54218141
2,3,4,6-tetrahydro-1H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 66692565
1,2,3,6-Tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70042605
2-Ethenyl-6-methyl-1,3-diazinan-4-one
CID 76820095
3-methylidene-2,6-dihydro-1H-pyrido[1,2-a]pyrimidin-4-one
CID 91244179
1,3,4,6-Tetrahydropyrido[1,2-a]pyrimidin-2-one
CID 141008936
9-Hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 141043366
3-Propan-2-yl-1,2,4a,5-tetrahydroquinazolin-4-one
CID 141142975
2-Methyl-1,2,3,6,7,8-hexahydropyrido[1,2-a]pyrimidin-4-one
CID 142685818
1-[2-(2-piperidin-1-ylpropan-2-ylamino)-2H-pyridin-1-yl]propan-1-one
CID 154149247

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 141088034) is 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CC(=O)N2CC=CC=C2N1.
What is the InChIKey of 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DITJGQNHRWKJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-6-9(12)11-5-3-2-4-8(11)10-7/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141088034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).