5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C18H23N5S — CID 56810275

IUPAC5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CN3CCN(Cc4ccsc4)CC3)nc2n1
InChIInChI=1S/C18H23N5S/c1-14-9-15(2)23-12-17(20-18(23)19-14)11-22-6-4-21(5-7-22)10-16-3-8-24-13-16/h3,8-9,12-13H,4-7,10-11H2,1-2H3
InChIKeyUUOBGMYHHFOYQV-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.73
Rot. Bonds4

About 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 56810275) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID56810275
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CN3CCN(Cc4ccsc4)CC3)nc2n1
InChIInChI=1S/C18H23N5S/c1-14-9-15(2)23-12-17(20-18(23)19-14)11-22-6-4-21(5-7-22)10-16-3-8-24-13-16/h3,8-9,12-13H,4-7,10-11H2,1-2H3
InChIKeyUUOBGMYHHFOYQV-UHFFFAOYSA-N
XLogP2.73
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 56810275) is 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CN3CCN(Cc4ccsc4)CC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is UUOBGMYHHFOYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-14-9-15(2)23-12-17(20-18(23)19-14)11-22-6-4-21(5-7-22)10-16-3-8-24-13-16/h3,8-9,12-13H,4-7,10-11H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 341.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 56810275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).