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

C15H27N5 — CID 62425155

IUPACN-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCCNCCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H27N5/c1-3-6-16-9-5-14(2)19-10-12-20(13-11-19)15-17-7-4-8-18-15/h4,7-8,14,16H,3,5-6,9-13H2,1-2H3
InChIKeyBHTRGOSRSCIWBF-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.38
Rot. Bonds7

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

N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 62425155) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID62425155
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCCNCCC(C)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H27N5/c1-3-6-16-9-5-14(2)19-10-12-20(13-11-19)15-17-7-4-8-18-15/h4,7-8,14,16H,3,5-6,9-13H2,1-2H3
InChIKeyBHTRGOSRSCIWBF-UHFFFAOYSA-N
XLogP1.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine 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-(2-methylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425336
N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 55070322
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425156
N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine
CID 62425695
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
3-piperidin-1-yl-N-propylbutan-1-amine
CID 62425080
2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
CID 173345063
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine (CID 62425155) is N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is CCCNCCC(C)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is BHTRGOSRSCIWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-6-16-9-5-14(2)19-10-12-20(13-11-19)15-17-7-4-8-18-15/h4,7-8,14,16H,3,5-6,9-13H2,1-2H3.
What are the key properties of N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine?
N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62425155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).