2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride

C12H18ClN5 — CID 120966664

IUPAC2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1cn2cccnc2n1.Cl
InChIInChI=1S/C12H17N5.ClH/c1-10-7-13-4-6-16(10)8-11-9-17-5-2-3-14-12(17)15-11;/h2-3,5,9-10,13H,4,6-8H2,1H3;1H/t10-;/m1./s1
InChIKeyJIIXFNVJYYRXHF-HNCPQSOCSA-N
MW267.76 g/mol
LogP0.94
Rot. Bonds2

About 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride

2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride (PubChem CID 120966664) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride
PubChem CID120966664
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride
SMILESC[C@@H]1CNCCN1Cc1cn2cccnc2n1.Cl
InChIInChI=1S/C12H17N5.ClH/c1-10-7-13-4-6-16(10)8-11-9-17-5-2-3-14-12(17)15-11;/h2-3,5,9-10,13H,4,6-8H2,1H3;1H/t10-;/m1./s1
InChIKeyJIIXFNVJYYRXHF-HNCPQSOCSA-N
XLogP0.94
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride?
The IUPAC name of 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride (CID 120966664) is 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride.
What is the SMILES notation for 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride?
The canonical SMILES for 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride is C[C@@H]1CNCCN1Cc1cn2cccnc2n1.Cl.
What is the InChIKey of 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride?
The InChIKey is JIIXFNVJYYRXHF-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17N5.ClH/c1-10-7-13-4-6-16(10)8-11-9-17-5-2-3-14-12(17)15-11;/h2-3,5,9-10,13H,4,6-8H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride?
2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-methylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine;hydrochloride is sourced from PubChem (CID 120966664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).