N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide

C16H25N5O2 — CID 109326326

IUPACN-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-4-5-6-19(3)15(23)14-11-13(2)17-16(18-14)21-9-7-20(12-22)8-10-21/h11-12H,4-10H2,1-3H3
InChIKeyOPCVKUCFASZPGX-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.94
Rot. Bonds6

About N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide

N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide (PubChem CID 109326326) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide
PubChem CID109326326
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(C)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-4-5-6-19(3)15(23)14-11-13(2)17-16(18-14)21-9-7-20(12-22)8-10-21/h11-12H,4-10H2,1-3H3
InChIKeyOPCVKUCFASZPGX-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109325558
4-[4-(4-ethylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109326145
2-(4-formylpiperazin-1-yl)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109326285
N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310342
2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109326296
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321600
6-(azepan-1-yl)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 112847027
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621
N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109373195
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326312
2-(N-benzylanilino)-N-butyl-N,6-dimethylpyrimidine-4-carboxamide
CID 109333713
4-[5-[butyl(methyl)amino]-1,2,4-triazin-3-yl]piperazine-1-carbaldehyde
CID 112946716

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide (CID 109326326) is N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(C)nc(N2CCN(C=O)CC2)n1.
What is the InChIKey of N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is OPCVKUCFASZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-4-5-6-19(3)15(23)14-11-13(2)17-16(18-14)21-9-7-20(12-22)8-10-21/h11-12H,4-10H2,1-3H3.
What are the key properties of N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide?
N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-formylpiperazin-1-yl)-N,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109326326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).