N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide

C24H27N5O2 — CID 10158939

IUPACN-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide
SMILESCC(=O)NC(CN1CC(C)(C)Cn2c1nc(-c1ccncc1)cc2=O)c1ccccc1
InChIInChI=1S/C24H27N5O2/c1-17(30)26-21(18-7-5-4-6-8-18)14-28-15-24(2,3)16-29-22(31)13-20(27-23(28)29)19-9-11-25-12-10-19/h4-13,21H,14-16H2,1-3H3,(H,26,30)
InChIKeyGGERNEWXODVVPP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide

N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide (PubChem CID 10158939) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide
PubChem CID10158939
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide
SMILESCC(=O)NC(CN1CC(C)(C)Cn2c1nc(-c1ccncc1)cc2=O)c1ccccc1
InChIInChI=1S/C24H27N5O2/c1-17(30)26-21(18-7-5-4-6-8-18)14-28-15-24(2,3)16-29-22(31)13-20(27-23(28)29)19-9-11-25-12-10-19/h4-13,21H,14-16H2,1-3H3,(H,26,30)
InChIKeyGGERNEWXODVVPP-UHFFFAOYSA-N
XLogP3.03
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide with MolForge

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Related Compounds

9-(2-methoxy-2-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69223498
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
9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10293927
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
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
3-fluoro-9-(2-hydroxy-2-phenylethyl)-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 69223854
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
7,7-dimethyl-9-phenacyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a][1,3,5]triazin-4-one
CID 44595923
9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
CID 10200238
2,2-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-7-pyridin-4-yl-3H-imidazo[1,2-a]pyrimidin-5-one
CID 69224916

Frequently Asked Questions

What is the IUPAC name of N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide?
The IUPAC name of 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) is N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide?
The canonical SMILES for N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide is CC(=O)NC(CN1CC(C)(C)Cn2c1nc(-c1ccncc1)cc2=O)c1ccccc1.
What is the InChIKey of N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide?
The InChIKey is GGERNEWXODVVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17(30)26-21(18-7-5-4-6-8-18)14-28-15-24(2,3)16-29-22(31)13-20(27-23(28)29)19-9-11-25-12-10-19/h4-13,21H,14-16H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide?
N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,7-dimethyl-4-oxo-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-9-yl)-1-phenylethyl]acetamide is sourced from PubChem (CID 10158939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).