6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide

C15H23N5O2 — CID 109340018

IUPAC6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C15H23N5O2/c1-3-4-5-16-15(22)13-10-14(18-11-17-13)20-8-6-19(7-9-20)12(2)21/h10-11H,3-9H2,1-2H3,(H,16,22)
InChIKeyWDWIQZUNXCGZNE-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.68
Rot. Bonds5

About 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide

6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide (PubChem CID 109340018) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide
PubChem CID109340018
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C15H23N5O2/c1-3-4-5-16-15(22)13-10-14(18-11-17-13)20-8-6-19(7-9-20)12(2)21/h10-11H,3-9H2,1-2H3,(H,16,22)
InChIKeyWDWIQZUNXCGZNE-UHFFFAOYSA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[6-(pentylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352795
6-(4-acetylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340398
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109340038
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863
N-[3-(dimethylamino)propyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342145
6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345915
N-[3-(dimethylamino)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109344900
ethyl 4-[6-(2-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109350551
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109345270
6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109345988

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide (CID 109340018) is 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(N2CCN(C(C)=O)CC2)ncn1.
What is the InChIKey of 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide?
The InChIKey is WDWIQZUNXCGZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-4-5-16-15(22)13-10-14(18-11-17-13)20-8-6-19(7-9-20)12(2)21/h10-11H,3-9H2,1-2H3,(H,16,22).
What are the key properties of 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide?
6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide is sourced from PubChem (CID 109340018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).