4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide

C13H22N6O — CID 66428194

IUPAC4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
SMILESCNC(=O)CC(CN)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H22N6O/c1-15-12(20)9-11(10-14)18-5-7-19(8-6-18)13-16-3-2-4-17-13/h2-4,11H,5-10,14H2,1H3,(H,15,20)
InChIKeyMRJDJADTQGLFKE-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.94
Rot. Bonds5

About 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide

4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide (PubChem CID 66428194) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
PubChem CID66428194
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
SMILESCNC(=O)CC(CN)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H22N6O/c1-15-12(20)9-11(10-14)18-5-7-19(8-6-18)13-16-3-2-4-17-13/h2-4,11H,5-10,14H2,1H3,(H,15,20)
InChIKeyMRJDJADTQGLFKE-UHFFFAOYSA-N
XLogP-0.94
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 66426934
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
CID 43175017
(3R)-4-hydroxy-N-(3-iodophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
CID 125483083
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 55070322
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
N-(2-methylbutan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 74628749

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide (CID 66428194) is 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide is CNC(=O)CC(CN)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is MRJDJADTQGLFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-15-12(20)9-11(10-14)18-5-7-19(8-6-18)13-16-3-2-4-17-13/h2-4,11H,5-10,14H2,1H3,(H,15,20).
What are the key properties of 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide?
4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 278.36 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 66428194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).