N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide

C17H29N5O — CID 86868244

IUPACN-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN(C(C)C(=O)NC(C)(C)C)CC2)nc(C)n1
InChIInChI=1S/C17H29N5O/c1-12-11-15(19-14(3)18-12)22-9-7-21(8-10-22)13(2)16(23)20-17(4,5)6/h11,13H,7-10H2,1-6H3,(H,20,23)
InChIKeyAZCVPLWWACXRKL-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.52
Rot. Bonds3

About N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide

N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 86868244) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID86868244
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN(C(C)C(=O)NC(C)(C)C)CC2)nc(C)n1
InChIInChI=1S/C17H29N5O/c1-12-11-15(19-14(3)18-12)22-9-7-21(8-10-22)13(2)16(23)20-17(4,5)6/h11,13H,7-10H2,1-6H3,(H,20,23)
InChIKeyAZCVPLWWACXRKL-UHFFFAOYSA-N
XLogP1.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 86868244) is N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide is Cc1cc(N2CCN(C(C)C(=O)NC(C)(C)C)CC2)nc(C)n1.
What is the InChIKey of N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is AZCVPLWWACXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12-11-15(19-14(3)18-12)22-9-7-21(8-10-22)13(2)16(23)20-17(4,5)6/h11,13H,7-10H2,1-6H3,(H,20,23).
What are the key properties of N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide?
N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86868244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).