2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine

C12H17N5 — CID 65450164

IUPAC2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCC1CN(Cc2cn3cccnc3n2)CCN1
InChIInChI=1S/C12H17N5/c1-10-7-16(6-4-13-10)8-11-9-17-5-2-3-14-12(17)15-11/h2-3,5,9-10,13H,4,6-8H2,1H3
InChIKeyKUMASWYNVLTKRR-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.52
Rot. Bonds2

About 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine

2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 65450164) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
PubChem CID65450164
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
SMILESCC1CN(Cc2cn3cccnc3n2)CCN1
InChIInChI=1S/C12H17N5/c1-10-7-16(6-4-13-10)8-11-9-17-5-2-3-14-12(17)15-11/h2-3,5,9-10,13H,4,6-8H2,1H3
InChIKeyKUMASWYNVLTKRR-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidin-3-ol
CID 103897986
2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 43162352
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 120966664
2-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 120966976
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
[4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)morpholin-2-yl]methanamine;hydrochloride
CID 120966937
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
methyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-3-carboxylate
CID 78920324

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine (CID 65450164) is 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine is CC1CN(Cc2cn3cccnc3n2)CCN1.
What is the InChIKey of 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is KUMASWYNVLTKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10-7-16(6-4-13-10)8-11-9-17-5-2-3-14-12(17)15-11/h2-3,5,9-10,13H,4,6-8H2,1H3.
What are the key properties of 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine?
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 65450164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).