1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone

C14H23N5O — CID 112855082

IUPAC1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCCCNc1cc(N2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C14H23N5O/c1-3-4-5-15-13-10-14(17-11-16-13)19-8-6-18(7-9-19)12(2)20/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyGRWUWADARHKRHA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.36
Rot. Bonds5

About 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112855082) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112855082
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCCCCNc1cc(N2CCN(C(C)=O)CC2)ncn1
InChIInChI=1S/C14H23N5O/c1-3-4-5-15-13-10-14(17-11-16-13)19-8-6-18(7-9-19)12(2)20/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyGRWUWADARHKRHA-UHFFFAOYSA-N
XLogP1.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.36
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-(butylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112855122
1-[4-[6-(3-methoxypropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112856840
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide
CID 109340018
1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858398
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858437
2-methyl-N-[3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propyl]propanamide
CID 100650371
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-butyl-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95102904

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112855082) is 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone is CCCCNc1cc(N2CCN(C(C)=O)CC2)ncn1.
What is the InChIKey of 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is GRWUWADARHKRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-4-5-15-13-10-14(17-11-16-13)19-8-6-18(7-9-19)12(2)20/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112855082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).