7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C15H20Cl2N4O — CID 119912426

IUPAC7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCNCC1.Cl
InChIInChI=1S/C15H19ClN4O.ClH/c1-19(13-4-6-17-7-5-13)10-12-8-15(21)20-9-11(16)2-3-14(20)18-12;/h2-3,8-9,13,17H,4-7,10H2,1H3;1H
InChIKeyKEBSGAIQZBQXBW-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.95
Rot. Bonds3

About 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride

7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119912426) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119912426
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCNCC1.Cl
InChIInChI=1S/C15H19ClN4O.ClH/c1-19(13-4-6-17-7-5-13)10-12-8-15(21)20-9-11(16)2-3-14(20)18-12;/h2-3,8-9,13,17H,4-7,10H2,1H3;1H
InChIKeyKEBSGAIQZBQXBW-UHFFFAOYSA-N
XLogP1.95
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

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Related Compounds

7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
7-chloro-2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 47026029
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid;hydrochloride
CID 119913014
7-chloro-2-[[cyclopropyl(4-hydroxybutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111431994
2-[(4-aminopiperidin-1-yl)methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119907105
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
7-chloro-2-[[3-hydroxybutyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111496900
7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 107203975
2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063
7-chloro-2-(methylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47263113

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119912426) is 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is CN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCNCC1.Cl.
What is the InChIKey of 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is KEBSGAIQZBQXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O.ClH/c1-19(13-4-6-17-7-5-13)10-12-8-15(21)20-9-11(16)2-3-14(20)18-12;/h2-3,8-9,13,17H,4-7,10H2,1H3;1H.
What are the key properties of 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 343.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[methyl(piperidin-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119912426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).