7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride

C12H18ClN5S — CID 13394216

IUPAC7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride
SMILESCSc1nc(N2CCN(C)CC2)cc2nccn12.Cl
InChIInChI=1S/C12H17N5S.ClH/c1-15-5-7-16(8-6-15)11-9-10-13-3-4-17(10)12(14-11)18-2;/h3-4,9H,5-8H2,1-2H3;1H
InChIKeyPNJUMNJRIZLFDN-UHFFFAOYSA-N
MW299.83 g/mol
LogP1.62
Rot. Bonds2

About 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride

7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride (PubChem CID 13394216) has the molecular formula C12H18ClN5S and a molecular weight of 299.83 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride
PubChem CID13394216
Molecular FormulaC12H18ClN5S
Molecular Weight299.83 g/mol
Exact Mass299.10
IUPAC Name7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride
SMILESCSc1nc(N2CCN(C)CC2)cc2nccn12.Cl
InChIInChI=1S/C12H17N5S.ClH/c1-15-5-7-16(8-6-15)11-9-10-13-3-4-17(10)12(14-11)18-2;/h3-4,9H,5-8H2,1-2H3;1H
InChIKeyPNJUMNJRIZLFDN-UHFFFAOYSA-N
XLogP1.62
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride (CID 13394216) is 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride is CSc1nc(N2CCN(C)CC2)cc2nccn12.Cl.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride?
The InChIKey is PNJUMNJRIZLFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S.ClH/c1-15-5-7-16(8-6-15)11-9-10-13-3-4-17(10)12(14-11)18-2;/h3-4,9H,5-8H2,1-2H3;1H.
What are the key properties of 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride?
7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride has a molecular weight of 299.83 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-5-methylsulfanylimidazo[1,2-c]pyrimidine;hydrochloride is sourced from PubChem (CID 13394216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).