ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate

C14H19N5O2 — CID 23962454

IUPACethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C14H19N5O2/c1-2-21-14(20)18-8-6-17(7-9-18)10-12-11-19-5-3-4-15-13(19)16-12/h3-5,11H,2,6-10H2,1H3
InChIKeyIOVMUWDRHFSJRZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.00
Rot. Bonds3

About ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate

ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 23962454) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
PubChem CID23962454
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2cn3cccnc3n2)CC1
InChIInChI=1S/C14H19N5O2/c1-2-21-14(20)18-8-6-17(7-9-18)10-12-11-19-5-3-4-15-13(19)16-12/h3-5,11H,2,6-10H2,1H3
InChIKeyIOVMUWDRHFSJRZ-UHFFFAOYSA-N
XLogP1.00
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 71899063
ethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methyltriazole-4-carboxylate
CID 103104973
[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
CID 60966758
(3S,4R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420023
ethyl 4-[(4-amino-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 107877724
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3,3-dimethylpiperidin-4-amine
CID 120967338
4-ethyl-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-2-carboxylic acid
CID 114430831
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426395
ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107876899
ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
CID 3464193

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate (CID 23962454) is ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2cn3cccnc3n2)CC1.
What is the InChIKey of ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is IOVMUWDRHFSJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-21-14(20)18-8-6-17(7-9-18)10-12-11-19-5-3-4-15-13(19)16-12/h3-5,11H,2,6-10H2,1H3.
What are the key properties of ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate?
ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 23962454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).