2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C20H21N5O — CID 10132429

IUPAC2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCCN2CCCc1cccnc1
InChIInChI=1S/C20H21N5O/c26-19-14-18(17-6-9-21-10-7-17)23-20-24(12-3-13-25(19)20)11-2-5-16-4-1-8-22-15-16/h1,4,6-10,14-15H,2-3,5,11-13H2
InChIKeyYOJUZZBTSHJJJP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.54
Rot. Bonds5

About 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10132429) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID10132429
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)nc2n1CCCN2CCCc1cccnc1
InChIInChI=1S/C20H21N5O/c26-19-14-18(17-6-9-21-10-7-17)23-20-24(12-3-13-25(19)20)11-2-5-16-4-1-8-22-15-16/h1,4,6-10,14-15H,2-3,5,11-13H2
InChIKeyYOJUZZBTSHJJJP-UHFFFAOYSA-N
XLogP2.54
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-imino-10-methyl-5-oxo-1-phenethyl-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 1077312
2-(4-((Pyridin-4-Yl)methyl)piperazin-1-Yl)-3,4,5,6,7,8-Hexahydroquinazolin-4-One
CID 135567045
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
3-Methyl-2-(2-phenylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 9882994
2-[3-(4-Fluorophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11748865
2-[5-Aminopentyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595656
2-(2-Cyclohexylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595681
2-[4-Aminobutyl(2-phenylethyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595683
3-methyl-2-[(2R)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 25004597
2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 25004925
3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 25004926
2-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005628

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 10132429) is 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccncc2)nc2n1CCCN2CCCc1cccnc1.
What is the InChIKey of 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is YOJUZZBTSHJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-19-14-18(17-6-9-21-10-7-17)23-20-24(12-3-13-25(19)20)11-2-5-16-4-1-8-22-15-16/h1,4,6-10,14-15H,2-3,5,11-13H2.
What are the key properties of 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 347.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-9-(3-pyridin-3-ylpropyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10132429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).