heptane;2-piperazin-1-ylpyrimidine

C15H28N4 — CID 144585904

IUPACheptane;2-piperazin-1-ylpyrimidine
SMILESCCCCCCC.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4.C7H16/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-3-5-7-6-4-2/h1-3,9H,4-7H2;3-7H2,1-2H3
InChIKeyXGKVFALYOMQMEI-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.86
Rot. Bonds5

About heptane;2-piperazin-1-ylpyrimidine

heptane;2-piperazin-1-ylpyrimidine (PubChem CID 144585904) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is heptane;2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Nameheptane;2-piperazin-1-ylpyrimidine
PubChem CID144585904
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Nameheptane;2-piperazin-1-ylpyrimidine
SMILESCCCCCCC.c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H12N4.C7H16/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-3-5-7-6-4-2/h1-3,9H,4-7H2;3-7H2,1-2H3
InChIKeyXGKVFALYOMQMEI-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.86
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

butane;2-piperazin-1-ylpyrimidine
CID 144912345
CID 161419574
CID 161419574
piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
CID 174800980
2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)heptan-1-amine
CID 80556440
1-(2-octoxyphenyl)piperazine
CID 63461603
2-(4-butylsulfonylpiperazin-1-yl)pyrimidine
CID 6466592
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
N-ethyl-N'-hexyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207964
3-piperazin-1-yl-1-propylpyrazin-2-one
CID 62938367
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903

Frequently Asked Questions

What is the IUPAC name of heptane;2-piperazin-1-ylpyrimidine?
The IUPAC name of heptane;2-piperazin-1-ylpyrimidine (CID 144585904) is heptane;2-piperazin-1-ylpyrimidine.
What is the SMILES notation for heptane;2-piperazin-1-ylpyrimidine?
The canonical SMILES for heptane;2-piperazin-1-ylpyrimidine is CCCCCCC.c1cnc(N2CCNCC2)nc1.
What is the InChIKey of heptane;2-piperazin-1-ylpyrimidine?
The InChIKey is XGKVFALYOMQMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.C7H16/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;1-3-5-7-6-4-2/h1-3,9H,4-7H2;3-7H2,1-2H3.
What are the key properties of heptane;2-piperazin-1-ylpyrimidine?
heptane;2-piperazin-1-ylpyrimidine has a molecular weight of 264.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 144585904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).