2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine

C12H17N5 — CID 82510170

IUPAC2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1nc2ncccn2c1CN1CCNCC1
InChIInChI=1S/C12H17N5/c1-10-11(9-16-7-4-13-5-8-16)17-6-2-3-14-12(17)15-10/h2-3,6,13H,4-5,7-9H2,1H3
InChIKeyQFEDEGXYDNPOIH-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.44
Rot. Bonds2

About 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine

2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 82510170) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID82510170
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1nc2ncccn2c1CN1CCNCC1
InChIInChI=1S/C12H17N5/c1-10-11(9-16-7-4-13-5-8-16)17-6-2-3-14-12(17)15-10/h2-3,6,13H,4-5,7-9H2,1H3
InChIKeyQFEDEGXYDNPOIH-UHFFFAOYSA-N
XLogP0.44
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine (CID 82510170) is 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine is Cc1nc2ncccn2c1CN1CCNCC1.
What is the InChIKey of 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is QFEDEGXYDNPOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10-11(9-16-7-4-13-5-8-16)17-6-2-3-14-12(17)15-10/h2-3,6,13H,4-5,7-9H2,1H3.
What are the key properties of 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 82510170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).