3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine

C20H24ClN5 — CID 45271691

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine
SMILESCc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1
InChIInChI=1S/C20H24ClN5/c1-14-12-20-23-15(2)19(26(20)16(3)22-14)13-24-8-10-25(11-9-24)18-6-4-17(21)5-7-18/h4-7,12H,8-11,13H2,1-3H3
InChIKeyAQHZNVAMLJSYRQ-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.63
Rot. Bonds3

About 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine (PubChem CID 45271691) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine
PubChem CID45271691
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine
SMILESCc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1
InChIInChI=1S/C20H24ClN5/c1-14-12-20-23-15(2)19(26(20)16(3)22-14)13-24-8-10-25(11-9-24)18-6-4-17(21)5-7-18/h4-7,12H,8-11,13H2,1-3H3
InChIKeyAQHZNVAMLJSYRQ-UHFFFAOYSA-N
XLogP3.63
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine (CID 45271691) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine is Cc1cc2nc(C)c(CN3CCN(c4ccc(Cl)cc4)CC3)n2c(C)n1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine?
The InChIKey is AQHZNVAMLJSYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-14-12-20-23-15(2)19(26(20)16(3)22-14)13-24-8-10-25(11-9-24)18-6-4-17(21)5-7-18/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine has a molecular weight of 369.90 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 45271691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).