N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

C24H36N6O — CID 24507299

IUPACN-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C24H36N6O/c1-6-29(7-2)21-10-8-20(9-11-21)26-23(31)17-28-12-14-30(15-13-28)22-16-19(5)25-24(27-22)18(3)4/h8-11,16,18H,6-7,12-15,17H2,1-5H3,(H,26,31)
InChIKeyQRHRPFLATRNWDM-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.52
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 24507299) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID24507299
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC NameN-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1
InChIInChI=1S/C24H36N6O/c1-6-29(7-2)21-10-8-20(9-11-21)26-23(31)17-28-12-14-30(15-13-28)22-16-19(5)25-24(27-22)18(3)4/h8-11,16,18H,6-7,12-15,17H2,1-5H3,(H,26,31)
InChIKeyQRHRPFLATRNWDM-UHFFFAOYSA-N
XLogP3.52
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 34907603
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 26377217
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 26376619
2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 26376688
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24568539
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24561171
3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 24589356
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 26376740
N-[1-(3-chlorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 42887409
N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 18094607

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 24507299) is N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is CCN(CC)c1ccc(NC(=O)CN2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is QRHRPFLATRNWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-6-29(7-2)21-10-8-20(9-11-21)26-23(31)17-28-12-14-30(15-13-28)22-16-19(5)25-24(27-22)18(3)4/h8-11,16,18H,6-7,12-15,17H2,1-5H3,(H,26,31).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 424.59 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24507299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).