9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C15H21ClN4O — CID 119916529

IUPAC9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN3CCNCC3C)nc12.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11-4-3-6-19-14(20)8-13(17-15(11)19)10-18-7-5-16-9-12(18)2;/h3-4,6,8,12,16H,5,7,9-10H2,1-2H3;1H
InChIKeyYIAGUDJFKDIGBP-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.22
Rot. Bonds2

About 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119916529) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119916529
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN3CCNCC3C)nc12.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11-4-3-6-19-14(20)8-13(17-15(11)19)10-18-7-5-16-9-12(18)2;/h3-4,6,8,12,16H,5,7,9-10H2,1-2H3;1H
InChIKeyYIAGUDJFKDIGBP-UHFFFAOYSA-N
XLogP1.22
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119916529) is 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cccn2c(=O)cc(CN3CCNCC3C)nc12.Cl.
What is the InChIKey of 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is YIAGUDJFKDIGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-11-4-3-6-19-14(20)8-13(17-15(11)19)10-18-7-5-16-9-12(18)2;/h3-4,6,8,12,16H,5,7,9-10H2,1-2H3;1H.
What are the key properties of 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119916529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).