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

C24H28N4O2 — CID 91913738

IUPACN-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(NCCCc2ccccc2)n1
InChIInChI=1S/C24H28N4O2/c1-17-9-7-13-21(19(17)3)27-22(29)16-28-23(30)15-18(2)26-24(28)25-14-8-12-20-10-5-4-6-11-20/h4-7,9-11,13,15H,8,12,14,16H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyRDZWMYKXWIBAPZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.85
Rot. Bonds8

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

N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide (PubChem CID 91913738) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide
PubChem CID91913738
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(NCCCc2ccccc2)n1
InChIInChI=1S/C24H28N4O2/c1-17-9-7-13-21(19(17)3)27-22(29)16-28-23(30)15-18(2)26-24(28)25-14-8-12-20-10-5-4-6-11-20/h4-7,9-11,13,15H,8,12,14,16H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyRDZWMYKXWIBAPZ-UHFFFAOYSA-N
XLogP3.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide (CID 91913738) is N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2cccc(C)c2C)c(NCCCc2ccccc2)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide?
The InChIKey is RDZWMYKXWIBAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-9-7-13-21(19(17)3)27-22(29)16-28-23(30)15-18(2)26-24(28)25-14-8-12-20-10-5-4-6-11-20/h4-7,9-11,13,15H,8,12,14,16H2,1-3H3,(H,25,26)(H,27,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-methyl-6-oxo-2-(3-phenylpropylamino)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 91913738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).