9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C22H23ClN4O2 — CID 10136290

IUPAC9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCCC1CCn2c(nc(-c3ccncc3)cc2=O)N1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c1-2-18-9-12-26-21(29)13-19(15-7-10-24-11-8-15)25-22(26)27(18)14-20(28)16-3-5-17(23)6-4-16/h3-8,10-11,13,18,20,28H,2,9,12,14H2,1H3
InChIKeyBAUNTAIRSQTONO-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.68
Rot. Bonds5

About 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10136290) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID10136290
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCCC1CCn2c(nc(-c3ccncc3)cc2=O)N1CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2/c1-2-18-9-12-26-21(29)13-19(15-7-10-24-11-8-15)25-22(26)27(18)14-20(28)16-3-5-17(23)6-4-16/h3-8,10-11,13,18,20,28H,2,9,12,14H2,1H3
InChIKeyBAUNTAIRSQTONO-UHFFFAOYSA-N
XLogP3.68
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
CID 91189870
1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid
CID 69485485
8-methyl-9-(naphthalen-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10177953
1'-(cyclohexanecarbonyl)-1-[(2S)-2-hydroxy-2-phenylethyl]-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-6-one
CID 11443677
1-ethyl-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,3'-pyrrolidine]-1'-carboxylic acid
CID 91289713
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-7-pyridin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 22048092
N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59793876
1-(4-chlorophenyl)-2-(5-pyridin-4-ylpyrazol-1-yl)ethanol
CID 109411946
2-[(3S)-3-(4-chlorophenyl)-5-methylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 91456460
(2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 70313400
9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10291470
1-[2-(4-fluorophenyl)-2-oxoethyl]-7-pyridin-4-yl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 22268178

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 10136290) is 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CCC1CCn2c(nc(-c3ccncc3)cc2=O)N1CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is BAUNTAIRSQTONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-2-18-9-12-26-21(29)13-19(15-7-10-24-11-8-15)25-22(26)27(18)14-20(28)16-3-5-17(23)6-4-16/h3-8,10-11,13,18,20,28H,2,9,12,14H2,1H3.
What are the key properties of 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 410.91 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-chlorophenyl)-2-hydroxyethyl]-8-ethyl-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10136290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).