N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

C13H23N5 — CID 55070322

IUPACN-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCNCCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5/c1-12(4-7-14-2)17-8-10-18(11-9-17)13-15-5-3-6-16-13/h3,5-6,12,14H,4,7-11H2,1-2H3
InChIKeyWBGIGWWNOOLHOS-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.60
Rot. Bonds5

About N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine

N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 55070322) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID55070322
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCNCCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5/c1-12(4-7-14-2)17-8-10-18(11-9-17)13-15-5-3-6-16-13/h3,5-6,12,14H,4,7-11H2,1-2H3
InChIKeyWBGIGWWNOOLHOS-UHFFFAOYSA-N
XLogP0.60
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425155
N-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425336
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62419651
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207593

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (CID 55070322) is N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is CNCCC(C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is WBGIGWWNOOLHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-12(4-7-14-2)17-8-10-18(11-9-17)13-15-5-3-6-16-13/h3,5-6,12,14H,4,7-11H2,1-2H3.
What are the key properties of N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 55070322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).