N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine

C14H22N6 — CID 63265435

IUPACN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1cn2cccnc2n1
InChIInChI=1S/C14H22N6/c1-18(9-10-19-7-4-15-5-8-19)11-13-12-20-6-2-3-16-14(20)17-13/h2-3,6,12,15H,4-5,7-11H2,1H3
InChIKeyTXAUDYKEZSVSRY-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.07
Rot. Bonds5

About N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine

N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 63265435) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
PubChem CID63265435
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1cn2cccnc2n1
InChIInChI=1S/C14H22N6/c1-18(9-10-19-7-4-15-5-8-19)11-13-12-20-6-2-3-16-14(20)17-13/h2-3,6,12,15H,4-5,7-11H2,1H3
InChIKeyTXAUDYKEZSVSRY-UHFFFAOYSA-N
XLogP0.07
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine (CID 63265435) is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine is CN(CCN1CCNCC1)Cc1cn2cccnc2n1.
What is the InChIKey of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is TXAUDYKEZSVSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-18(9-10-19-7-4-15-5-8-19)11-13-12-20-6-2-3-16-14(20)17-13/h2-3,6,12,15H,4-5,7-11H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 274.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 63265435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).