1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one

C24H24N4O2 — CID 10001055

IUPAC1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one
SMILESO=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCCC2)c1ccccc1
InChIInChI=1S/C24H24N4O2/c29-21(19-6-2-1-3-7-19)17-28-23-26-20(18-8-13-25-14-9-18)16-22(30)27(23)15-12-24(28)10-4-5-11-24/h1-3,6-9,13-14,16H,4-5,10-12,15,17H2
InChIKeyALVVOUHBMJPAQQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.71
Rot. Bonds4

About 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one

1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one (PubChem CID 10001055) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one.

Molecular Properties

Compound Name1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one
PubChem CID10001055
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one
SMILESO=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCCC2)c1ccccc1
InChIInChI=1S/C24H24N4O2/c29-21(19-6-2-1-3-7-19)17-28-23-26-20(18-8-13-25-14-9-18)16-22(30)27(23)15-12-24(28)10-4-5-11-24/h1-3,6-9,13-14,16H,4-5,10-12,15,17H2
InChIKeyALVVOUHBMJPAQQ-UHFFFAOYSA-N
XLogP3.71
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one with MolForge

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Related Compounds

((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263
3-Phenethyl-2-((E)-2-pyridin-3-yl-vinyl)-3H-quinazolin-4-one
CID 5293677
2-(4-((Pyridin-4-Yl)methyl)piperazin-1-Yl)-3,4,5,6,7,8-Hexahydroquinazolin-4-One
CID 135567045
2-[[2-(3-Fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 9880962
3-Methyl-2-[[2-(3-methylphenyl)-2-oxoethyl]amino]-6-pyridin-4-ylpyrimidin-4-one
CID 9923750
2-[[2-(4-Fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10131935
3-methyl-2-(2-oxo-2-phenylethylamino)-6-pyridin-4-yl-3H-pyrimidin-4-one
CID 10308589
2-[[2-(3-Chlorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10309005
11-Oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557475
2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005270
2-[[2-(2-Fluorophenyl)-2-oxoethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59793866
3-[2-[(1-Methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]acetyl]benzonitrile
CID 59793933

Frequently Asked Questions

What is the IUPAC name of 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one?
The IUPAC name of 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one (CID 10001055) is 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one.
What is the SMILES notation for 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one?
The canonical SMILES for 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one is O=C(CN1c2nc(-c3ccncc3)cc(=O)n2CCC12CCCC2)c1ccccc1.
What is the InChIKey of 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one?
The InChIKey is ALVVOUHBMJPAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-21(19-6-2-1-3-7-19)17-28-23-26-20(18-8-13-25-14-9-18)16-22(30)27(23)15-12-24(28)10-4-5-11-24/h1-3,6-9,13-14,16H,4-5,10-12,15,17H2.
What are the key properties of 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one?
1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one has a molecular weight of 400.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenacyl-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclopentane]-6-one is sourced from PubChem (CID 10001055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).