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

C20H20N4O2S — CID 10156625

IUPAC9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCCN2CCS(=O)c1ccccc1
InChIInChI=1S/C20H20N4O2S/c25-19-15-18(16-7-9-21-10-8-16)22-20-23(11-4-12-24(19)20)13-14-27(26)17-5-2-1-3-6-17/h1-3,5-10,15H,4,11-14H2
InChIKeyHVJHHDFLSBIBHG-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.32
Rot. Bonds5

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

9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10156625) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID10156625
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCCN2CCS(=O)c1ccccc1
InChIInChI=1S/C20H20N4O2S/c25-19-15-18(16-7-9-21-10-8-16)22-20-23(11-4-12-24(19)20)13-14-27(26)17-5-2-1-3-6-17/h1-3,5-10,15H,4,11-14H2
InChIKeyHVJHHDFLSBIBHG-UHFFFAOYSA-N
XLogP2.32
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10132429
9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 22268204
9-[2-(3-fluorophenyl)-2-oxoethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 22268189
1-(2-methoxyethyl)-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 53193205
9-[2-(N-ethylanilino)pyrimidin-4-yl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 11441690
7-pyridin-4-yl-1-(4,4,4-trifluorobut-2-enyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 68873565
1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 11460869
7-pyridin-4-yl-1-[3-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 22268191
9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10291470
9-(2-methoxy-2-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69223498
1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one
CID 10001055
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-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 10156625) is 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccncc2)nc2n1CCCN2CCS(=O)c1ccccc1.
What is the InChIKey of 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is HVJHHDFLSBIBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19-15-18(16-7-9-21-10-8-16)22-20-23(11-4-12-24(19)20)13-14-27(26)17-5-2-1-3-6-17/h1-3,5-10,15H,4,11-14H2.
What are the key properties of 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 380.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10156625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).