9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

C25H28N4O — CID 10157834

IUPAC9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CN(CCC2Cc3ccccc3C2)c2nc(-c3ccncc3)cc(=O)n2C1
InChIInChI=1S/C25H28N4O/c1-25(2)16-28(12-9-18-13-20-5-3-4-6-21(20)14-18)24-27-22(15-23(30)29(24)17-25)19-7-10-26-11-8-19/h3-8,10-11,15,18H,9,12-14,16-17H2,1-2H3
InChIKeyMITRAVWOKWRQPL-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.96
Rot. Bonds4

About 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10157834) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID10157834
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CN(CCC2Cc3ccccc3C2)c2nc(-c3ccncc3)cc(=O)n2C1
InChIInChI=1S/C25H28N4O/c1-25(2)16-28(12-9-18-13-20-5-3-4-6-21(20)14-18)24-27-22(15-23(30)29(24)17-25)19-7-10-26-11-8-19/h3-8,10-11,15,18H,9,12-14,16-17H2,1-2H3
InChIKeyMITRAVWOKWRQPL-UHFFFAOYSA-N
XLogP3.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10200238
9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10293927
9-(2-methoxy-2-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69223498
N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide
CID 10158939
9-[(1S)-1-hydroxy-1-phenylethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69239254
9-(1-hydroxy-1-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69239252
7,7-dimethyl-9-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethyl]-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10140890
4-[2-(7,7-dimethyl-4-oxo-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)ethyl]benzonitrile
CID 10271484
9-[2-(2-chloro-4-fluorophenyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 22268204
7,7-dimethyl-9-phenacyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a][1,3,5]triazin-4-one
CID 44595923
9-[2-(benzenesulfinyl)ethyl]-2-pyridin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10156625
9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10179572

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (CID 10157834) is 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is CC1(C)CN(CCC2Cc3ccccc3C2)c2nc(-c3ccncc3)cc(=O)n2C1.
What is the InChIKey of 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is MITRAVWOKWRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-25(2)16-28(12-9-18-13-20-5-3-4-6-21(20)14-18)24-27-22(15-23(30)29(24)17-25)19-7-10-26-11-8-19/h3-8,10-11,15,18H,9,12-14,16-17H2,1-2H3.
What are the key properties of 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 400.53 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10157834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).