2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C16H23ClN4O — CID 119924132

IUPAC2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN3CC(C)NC(C)C3)nc12.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-11-5-4-6-20-15(21)7-14(18-16(11)20)10-19-8-12(2)17-13(3)9-19;/h4-7,12-13,17H,8-10H2,1-3H3;1H
InChIKeyFBURXIXDYZVOEZ-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.61
Rot. Bonds2

About 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119924132) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119924132
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN3CC(C)NC(C)C3)nc12.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-11-5-4-6-20-15(21)7-14(18-16(11)20)10-19-8-12(2)17-13(3)9-19;/h4-7,12-13,17H,8-10H2,1-3H3;1H
InChIKeyFBURXIXDYZVOEZ-UHFFFAOYSA-N
XLogP1.61
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

2-(piperazin-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 43090470
9-Methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 45794754
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[(3E)-4-fluoro-5-prop-1-en-2-yliminopenta-1,3-dien-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134558955
2-Methyl-3-(2-piperazin-1-ylethyl)-pyrido[1,2-a]pyrimidin-4-one
CID 123531699
9-Methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42926969
7-[(3S)-3,5-dimethylpiperazin-1-yl]-2-[(2E,4E)-5-fluoro-6-methylhepta-2,4,6-trien-3-yl]pyrido[1,2-a]pyrimidin-4-one
CID 142511306
N-(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 18566217
9-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364467
N-[2-(4-ethylpiperazin-1-yl)ethyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364469
9-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364472
1-Cyclopentyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]urea
CID 47028533
7-Chloro-2-(piperazin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 43348666

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119924132) is 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cccn2c(=O)cc(CN3CC(C)NC(C)C3)nc12.Cl.
What is the InChIKey of 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is FBURXIXDYZVOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-11-5-4-6-20-15(21)7-14(18-16(11)20)10-19-8-12(2)17-13(3)9-19;/h4-7,12-13,17H,8-10H2,1-3H3;1H.
What are the key properties of 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119924132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).