7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H20ClN3O2 — CID 107203975

IUPAC7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCCCCO)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C15H20ClN3O2/c1-18(7-3-2-4-8-20)11-13-9-15(21)19-10-12(16)5-6-14(19)17-13/h5-6,9-10,20H,2-4,7-8,11H2,1H3
InChIKeyBJBUVLIQDOILFV-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.94
Rot. Bonds7

About 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 107203975) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID107203975
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCCCCO)Cc1cc(=O)n2cc(Cl)ccc2n1
InChIInChI=1S/C15H20ClN3O2/c1-18(7-3-2-4-8-20)11-13-9-15(21)19-10-12(16)5-6-14(19)17-13/h5-6,9-10,20H,2-4,7-8,11H2,1H3
InChIKeyBJBUVLIQDOILFV-UHFFFAOYSA-N
XLogP1.94
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-[[cyclopropyl(4-hydroxybutyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111431994
7-chloro-2-[[3-hydroxybutyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 111496900
2-[[(4-bromophenyl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088063
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
CID 62638702
2-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 18088872
7-chloro-2-ethylpyrido[1,2-a]pyrimidin-4-one
CID 118544434
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid;hydrochloride
CID 119913014
7-chloro-2-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18094800
2-(aminomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 115026649
2-(bromomethyl)-7-chloropyrido[1,2-a]pyrimidin-4-one
CID 81223581
7-chloro-2-[[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92784199

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 107203975) is 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(CCCCCO)Cc1cc(=O)n2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BJBUVLIQDOILFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-18(7-3-2-4-8-20)11-13-9-15(21)19-10-12(16)5-6-14(19)17-13/h5-6,9-10,20H,2-4,7-8,11H2,1H3.
What are the key properties of 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 309.80 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[5-hydroxypentyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 107203975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).