2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C13H19N5 — CID 120966976

IUPAC2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESC[C@@H]1CNC[C@H](C)N1Cc1cn2cccnc2n1
InChIInChI=1S/C13H19N5/c1-10-6-14-7-11(2)18(10)9-12-8-17-5-3-4-15-13(17)16-12/h3-5,8,10-11,14H,6-7,9H2,1-2H3/t10-,11+
InChIKeyGDAKYRZZZXMUHF-PHIMTYICSA-N
MW245.33 g/mol
LogP0.91
Rot. Bonds2

About 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 120966976) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID120966976
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESC[C@@H]1CNC[C@H](C)N1Cc1cn2cccnc2n1
InChIInChI=1S/C13H19N5/c1-10-6-14-7-11(2)18(10)9-12-8-17-5-3-4-15-13(17)16-12/h3-5,8,10-11,14H,6-7,9H2,1-2H3/t10-,11+
InChIKeyGDAKYRZZZXMUHF-PHIMTYICSA-N
XLogP0.91
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 120966976) is 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is C[C@@H]1CNC[C@H](C)N1Cc1cn2cccnc2n1.
What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is GDAKYRZZZXMUHF-PHIMTYICSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-6-14-7-11(2)18(10)9-12-8-17-5-3-4-15-13(17)16-12/h3-5,8,10-11,14H,6-7,9H2,1-2H3/t10-,11+.
What are the key properties of 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 245.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 120966976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).