5-(4-piperazin-1-ylbutyl)pyrimidine

C12H20N4 — CID 121009202

IUPAC5-(4-piperazin-1-ylbutyl)pyrimidine
SMILESc1ncc(CCCCN2CCNCC2)cn1
InChIInChI=1S/C12H20N4/c1(3-12-9-14-11-15-10-12)2-6-16-7-4-13-5-8-16/h9-11,13H,1-8H2
InChIKeyCTHVMNVAPZFDLQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.70
Rot. Bonds5

About 5-(4-piperazin-1-ylbutyl)pyrimidine

5-(4-piperazin-1-ylbutyl)pyrimidine (PubChem CID 121009202) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-(4-piperazin-1-ylbutyl)pyrimidine.

Molecular Properties

Compound Name5-(4-piperazin-1-ylbutyl)pyrimidine
PubChem CID121009202
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-(4-piperazin-1-ylbutyl)pyrimidine
SMILESc1ncc(CCCCN2CCNCC2)cn1
InChIInChI=1S/C12H20N4/c1(3-12-9-14-11-15-10-12)2-6-16-7-4-13-5-8-16/h9-11,13H,1-8H2
InChIKeyCTHVMNVAPZFDLQ-UHFFFAOYSA-N
XLogP0.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
1-(5-pyridin-4-ylpentyl)-1,4-diazepane
CID 18958792
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
5-(2-piperidin-1-ylethyl)pyrimidine
CID 89299412
4-piperazin-1-yl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 115240414
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
5-(piperazin-1-ylmethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 170306096
1-[2-(5-chloro-3-pyridinyl)ethyl]piperazine
CID 84690273
1-[2-(5-fluoro-3-pyridinyl)ethyl]piperazine
CID 82507856
4-phenyl-5-(3-piperazin-1-ylpropyl)pyrimidine
CID 141070754
3-(5-piperazin-1-ylpentyl)-1,2-oxazole;propane
CID 153330321
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperazin-1-ylbutyl)pyrimidine?
The IUPAC name of 5-(4-piperazin-1-ylbutyl)pyrimidine (CID 121009202) is 5-(4-piperazin-1-ylbutyl)pyrimidine.
What is the SMILES notation for 5-(4-piperazin-1-ylbutyl)pyrimidine?
The canonical SMILES for 5-(4-piperazin-1-ylbutyl)pyrimidine is c1ncc(CCCCN2CCNCC2)cn1.
What is the InChIKey of 5-(4-piperazin-1-ylbutyl)pyrimidine?
The InChIKey is CTHVMNVAPZFDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1(3-12-9-14-11-15-10-12)2-6-16-7-4-13-5-8-16/h9-11,13H,1-8H2.
What are the key properties of 5-(4-piperazin-1-ylbutyl)pyrimidine?
5-(4-piperazin-1-ylbutyl)pyrimidine has a molecular weight of 220.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperazin-1-ylbutyl)pyrimidine is sourced from PubChem (CID 121009202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).