3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C17H20N2O — CID 139716711

IUPAC3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(CCc2ccccc2)nc2n(c1=O)CCCC2
InChIInChI=1S/C17H20N2O/c1-13-15(11-10-14-7-3-2-4-8-14)18-16-9-5-6-12-19(16)17(13)20/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyIUFPBOAAPRLUIS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.67
Rot. Bonds3

About 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 139716711) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID139716711
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(CCc2ccccc2)nc2n(c1=O)CCCC2
InChIInChI=1S/C17H20N2O/c1-13-15(11-10-14-7-3-2-4-8-14)18-16-9-5-6-12-19(16)17(13)20/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyIUFPBOAAPRLUIS-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(4-chlorobenzoyl)phenyl]ethyl]-3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 18918922
2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-4-yl)-N-(3-phenylpropyl)acetamide
CID 91908685
N-benzyl-4-methyl-2-oxo-N-(2-phenylethyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 24676564
3-benzyl-6,7,8,9-tetrahydro-5H-azepino[1,2-a]purin-11-one
CID 175204721
2-[2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethylsulfanyl]benzoic acid
CID 29132378
4-methyl-5-[4-(2-phenylethyl)piperidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 33309831
N-benzyl-11-oxo-N-propan-2-yl-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551015
2-hydroxy-3-phenylsulfanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 136680481
3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 657668
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate
CID 55424613
N-[3-[benzyl(propan-2-yl)amino]propyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 22520726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 139716711) is 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1c(CCc2ccccc2)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IUFPBOAAPRLUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-15(11-10-14-7-3-2-4-8-14)18-16-9-5-6-12-19(16)17(13)20/h2-4,7-8H,5-6,9-12H2,1H3.
What are the key properties of 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 268.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-phenylethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 139716711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).