2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine

C10H20N4 — CID 126997137

IUPAC2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine
SMILESCC(C1=NCCCN1)N1CCNCC1
InChIInChI=1S/C10H20N4/c1-9(10-12-3-2-4-13-10)14-7-5-11-6-8-14/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyQKOKMZQOJYITBT-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.33
Rot. Bonds2

About 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine

2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 126997137) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID126997137
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine
SMILESCC(C1=NCCCN1)N1CCNCC1
InChIInChI=1S/C10H20N4/c1-9(10-12-3-2-4-13-10)14-7-5-11-6-8-14/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyQKOKMZQOJYITBT-UHFFFAOYSA-N
XLogP-0.33
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171276366
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
2-(1-piperazin-1-ylethyl)-1,3-oxazole
CID 22361246
1-[1-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 83830839
N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
CID 174938739
bis[2-methyl-1-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propyl]diazene
CID 23467435
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
1-[1-(2-methoxy-3-pyridinyl)ethyl]piperazine
CID 83890125
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-[1-(3,4-diiodophenyl)ethyl]piperazine
CID 118911318
1-propan-2-ylpiperazine;vanadium
CID 162375922

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine (CID 126997137) is 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine is CC(C1=NCCCN1)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is QKOKMZQOJYITBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(10-12-3-2-4-13-10)14-7-5-11-6-8-14/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine?
2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 196.30 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 126997137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).