N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide

C24H28N4O2 — CID 91904059

IUPACN-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(NCCCc2ccccc2)nc(C)cc1=O
InChIInChI=1S/C24H28N4O2/c1-3-20-13-7-8-14-21(20)27-22(29)17-28-23(30)16-18(2)26-24(28)25-15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,16H,3,9,12,15,17H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyPHLCIPFVRAEFRL-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.80
Rot. Bonds9

About N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide (PubChem CID 91904059) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide
PubChem CID91904059
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(NCCCc2ccccc2)nc(C)cc1=O
InChIInChI=1S/C24H28N4O2/c1-3-20-13-7-8-14-21(20)27-22(29)17-28-23(30)16-18(2)26-24(28)25-15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,16H,3,9,12,15,17H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyPHLCIPFVRAEFRL-UHFFFAOYSA-N
XLogP3.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(2-ethylphenyl)acetamide
CID 53201648
N-(2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748780
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 53201791
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
N-(2-ethylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024292
N-(2-ethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409185
N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748810

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide (CID 91904059) is N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide is CCc1ccccc1NC(=O)Cn1c(NCCCc2ccccc2)nc(C)cc1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide?
The InChIKey is PHLCIPFVRAEFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-20-13-7-8-14-21(20)27-22(29)17-28-23(30)16-18(2)26-24(28)25-15-9-12-19-10-5-4-6-11-19/h4-8,10-11,13-14,16H,3,9,12,15,17H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 91904059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).