2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine

C12H24N4 — CID 58603025

IUPAC2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCCCCN1CCN(C2=NCCCN2)CC1
InChIInChI=1S/C12H24N4/c1-2-3-7-15-8-10-16(11-9-15)12-13-5-4-6-14-12/h2-11H2,1H3,(H,13,14)
InChIKeyZCPNIZAHPHAIPN-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.75
Rot. Bonds3

About 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine

2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 58603025) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine
PubChem CID58603025
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCCCCN1CCN(C2=NCCCN2)CC1
InChIInChI=1S/C12H24N4/c1-2-3-7-15-8-10-16(11-9-15)12-13-5-4-6-14-12/h2-11H2,1H3,(H,13,14)
InChIKeyZCPNIZAHPHAIPN-UHFFFAOYSA-N
XLogP0.75
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-hexylpiperazine
CID 71372790
7-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4-thiazepane
CID 130921378
1-butylazetidine;ethane
CID 143628082
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
1-butyl-1,3-diazepan-2-one
CID 150099536
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915187
1-butylpyrrolidine;1,4-dioxane
CID 159502773
1-butyl-1,4-diazepane;ethane
CID 168976024
1-pentylpiperidine;pyrrolidine
CID 69027489
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine (CID 58603025) is 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine is CCCCN1CCN(C2=NCCCN2)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ZCPNIZAHPHAIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-2-3-7-15-8-10-16(11-9-15)12-13-5-4-6-14-12/h2-11H2,1H3,(H,13,14).
What are the key properties of 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine?
2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 224.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 58603025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).