9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one

C21H24N4O2 — CID 71159662

IUPAC9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Nc2ccc(O)cc2C)c2nc(N3CCCCC3)cc(=O)n2c1
InChIInChI=1S/C21H24N4O2/c1-14-10-18(22-17-7-6-16(26)11-15(17)2)21-23-19(12-20(27)25(21)13-14)24-8-4-3-5-9-24/h6-7,10-13,22,26H,3-5,8-9H2,1-2H3
InChIKeyQPCRZMINUPGBCL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.75
Rot. Bonds3

About 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one

9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 71159662) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID71159662
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Nc2ccc(O)cc2C)c2nc(N3CCCCC3)cc(=O)n2c1
InChIInChI=1S/C21H24N4O2/c1-14-10-18(22-17-7-6-16(26)11-15(17)2)21-23-19(12-20(27)25(21)13-14)24-8-4-3-5-9-24/h6-7,10-13,22,26H,3-5,8-9H2,1-2H3
InChIKeyQPCRZMINUPGBCL-UHFFFAOYSA-N
XLogP3.75
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

9-(2,6-dimethylanilino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179708
4-hydroxy-2-[1-(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)ethylamino]benzoic acid
CID 170971100
(2S)-1-(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidine-9-carbonyl)pyrrolidine-2-carboxylic acid
CID 170971374
2-[1-[2-(azetidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethylamino]benzoic acid
CID 170971605
9-ethenyl-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 164600757
9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 164600769
2-[methyl-[1-(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
CID 170971432
9-[(1S)-1-anilinoethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 51601994
7-methyl-2-morpholin-4-yl-9-(2-pyridin-4-ylethenyl)pyrido[1,2-a]pyrimidin-4-one
CID 74066587
9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 170971727
7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839834
3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
CID 175799385

Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 71159662) is 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(Nc2ccc(O)cc2C)c2nc(N3CCCCC3)cc(=O)n2c1.
What is the InChIKey of 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QPCRZMINUPGBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-10-18(22-17-7-6-16(26)11-15(17)2)21-23-19(12-20(27)25(21)13-14)24-8-4-3-5-9-24/h6-7,10-13,22,26H,3-5,8-9H2,1-2H3.
What are the key properties of 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one?
9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxy-2-methylanilino)-7-methyl-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71159662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).