2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine

C16H20N8 — CID 70781125

IUPAC2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CCn3ccnc3-c3cnc[nH]3)CC2)nc1
InChIInChI=1S/C16H20N8/c1-2-19-16(20-3-1)24-10-7-22(8-11-24)6-9-23-5-4-18-15(23)14-12-17-13-21-14/h1-5,12-13H,6-11H2,(H,17,21)
InChIKeyREBJZZRBNOTTRP-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.89
Rot. Bonds5

About 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine

2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine (PubChem CID 70781125) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine
PubChem CID70781125
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CCn3ccnc3-c3cnc[nH]3)CC2)nc1
InChIInChI=1S/C16H20N8/c1-2-19-16(20-3-1)24-10-7-22(8-11-24)6-9-23-5-4-18-15(23)14-12-17-13-21-14/h1-5,12-13H,6-11H2,(H,17,21)
InChIKeyREBJZZRBNOTTRP-UHFFFAOYSA-N
XLogP0.89
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-imidazol-1-ylpropyl)-7H-purin-6-amine
CID 4639586
9H-Purine, 2-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrate
CID 3057802
Purine.pyrimidine
CID 18331659
Purine.purine
CID 21946428
Pyrimidine.purine.pyrimidine
CID 21976343
Adenine.purine
CID 22323795
2-(1H-Imidazol-5-yl)pyrimidine
CID 22594121
Piperazinylpurine
CID 23128690
Purine.purine.pyrimidine
CID 67230522
Adenin.Aminopurin
CID 68669477
Adenyl purine
CID 129660503
2-{4-[(5-Methyl-1H-imidazol-4-YL)methyl]piperazin-1-YL}pyrimidine
CID 30982068

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine (CID 70781125) is 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine is c1cnc(N2CCN(CCn3ccnc3-c3cnc[nH]3)CC2)nc1.
What is the InChIKey of 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is REBJZZRBNOTTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-2-19-16(20-3-1)24-10-7-22(8-11-24)6-9-23-5-4-18-15(23)14-12-17-13-21-14/h1-5,12-13H,6-11H2,(H,17,21).
What are the key properties of 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine?
2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 324.39 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 70781125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).