7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C13H16ClN3O2 — CID 121384954

IUPAC7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CC)Cc1cc(=O)n2cc(Cl)cc(O)c2n1
InChIInChI=1S/C13H16ClN3O2/c1-3-16(4-2)8-10-6-12(19)17-7-9(14)5-11(18)13(17)15-10/h5-7,18H,3-4,8H2,1-2H3
InChIKeyOEAJTBTXHZHDRT-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.90
Rot. Bonds4

About 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one

7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 121384954) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID121384954
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESCCN(CC)Cc1cc(=O)n2cc(Cl)cc(O)c2n1
InChIInChI=1S/C13H16ClN3O2/c1-3-16(4-2)8-10-6-12(19)17-7-9(14)5-11(18)13(17)15-10/h5-7,18H,3-4,8H2,1-2H3
InChIKeyOEAJTBTXHZHDRT-UHFFFAOYSA-N
XLogP1.90
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

7-chloro-9-hydroxy-2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 121384957
(7-chloro-9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl methanedithioate
CID 167023198
2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787833
(7-chloro-9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl morpholine-4-carbodithioate
CID 167023191
7,9-dichloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 71469830
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-chloro-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 121384962
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-methylamino]propanoic acid
CID 62638702
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-bromo-2-[[ethyl(2-hydroxyethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60685461

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 121384954) is 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one is CCN(CC)Cc1cc(=O)n2cc(Cl)cc(O)c2n1.
What is the InChIKey of 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OEAJTBTXHZHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-3-16(4-2)8-10-6-12(19)17-7-9(14)5-11(18)13(17)15-10/h5-7,18H,3-4,8H2,1-2H3.
What are the key properties of 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 281.74 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(diethylaminomethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121384954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).