2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one

C18H19ClN4O — CID 166197919

IUPAC2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)C(CNc1cc(=O)n2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C18H19ClN4O/c1-22(2)15(13-7-3-4-8-14(13)19)12-20-16-11-18(24)23-10-6-5-9-17(23)21-16/h3-11,15,20H,12H2,1-2H3
InChIKeyNRPKOQIGFCLYDN-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.06
Rot. Bonds5

About 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one

2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 166197919) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID166197919
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(C)C(CNc1cc(=O)n2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C18H19ClN4O/c1-22(2)15(13-7-3-4-8-14(13)19)12-20-16-11-18(24)23-10-6-5-9-17(23)21-16/h3-11,15,20H,12H2,1-2H3
InChIKeyNRPKOQIGFCLYDN-UHFFFAOYSA-N
XLogP3.06
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
2-[[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]amino]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 9119252
4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 46974204
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 51654214
2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94477565
2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103479249
4-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-2-methylphthalazin-1-one
CID 118928588
2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 12843616
2-(1-anilinoethyl)pyrido[1,2-a]pyrimidin-4-one
CID 175817453
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 62639822
2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51293842

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one (CID 166197919) is 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one is CN(C)C(CNc1cc(=O)n2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NRPKOQIGFCLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-22(2)15(13-7-3-4-8-14(13)19)12-20-16-11-18(24)23-10-6-5-9-17(23)21-16/h3-11,15,20H,12H2,1-2H3.
What are the key properties of 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one?
2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 342.83 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166197919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).