N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide

C22H32N6O — CID 3240772

IUPACN-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C22H32N6O/c1-5-27(6-2)20-9-7-19(8-10-20)25-21(29)16-26-11-13-28(14-12-26)22-23-17(3)15-18(4)24-22/h7-10,15H,5-6,11-14,16H2,1-4H3,(H,25,29)
InChIKeyRIROJFDGNNMEAS-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.70
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide

N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 3240772) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID3240772
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC NameN-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(c3nc(C)cc(C)n3)CC2)cc1
InChIInChI=1S/C22H32N6O/c1-5-27(6-2)20-9-7-19(8-10-20)25-21(29)16-26-11-13-28(14-12-26)22-23-17(3)15-18(4)24-22/h7-10,15H,5-6,11-14,16H2,1-4H3,(H,25,29)
InChIKeyRIROJFDGNNMEAS-UHFFFAOYSA-N
XLogP2.70
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide (CID 3240772) is N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide is CCN(CC)c1ccc(NC(=O)CN2CCN(c3nc(C)cc(C)n3)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is RIROJFDGNNMEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-5-27(6-2)20-9-7-19(8-10-20)25-21(29)16-26-11-13-28(14-12-26)22-23-17(3)15-18(4)24-22/h7-10,15H,5-6,11-14,16H2,1-4H3,(H,25,29).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide?
N-[4-(diethylamino)phenyl]-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 2.70, 7 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-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3240772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).