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

C21H27N5O — CID 45270813

IUPAC3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine
SMILESCOc1ccc(N2CCN(Cc3c(C)nc4cc(C)nc(C)n34)CC2)cc1
InChIInChI=1S/C21H27N5O/c1-15-13-21-23-16(2)20(26(21)17(3)22-15)14-24-9-11-25(12-10-24)18-5-7-19(27-4)8-6-18/h5-8,13H,9-12,14H2,1-4H3
InChIKeyLPJGAZGHYONJPC-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.99
Rot. Bonds4

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

3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine (PubChem CID 45270813) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine
PubChem CID45270813
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine
SMILESCOc1ccc(N2CCN(Cc3c(C)nc4cc(C)nc(C)n34)CC2)cc1
InChIInChI=1S/C21H27N5O/c1-15-13-21-23-16(2)20(26(21)17(3)22-15)14-24-9-11-25(12-10-24)18-5-7-19(27-4)8-6-18/h5-8,13H,9-12,14H2,1-4H3
InChIKeyLPJGAZGHYONJPC-UHFFFAOYSA-N
XLogP2.99
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine?
The IUPAC name of 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine (CID 45270813) is 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine is COc1ccc(N2CCN(Cc3c(C)nc4cc(C)nc(C)n34)CC2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine?
The InChIKey is LPJGAZGHYONJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-13-21-23-16(2)20(26(21)17(3)22-15)14-24-9-11-25(12-10-24)18-5-7-19(27-4)8-6-18/h5-8,13H,9-12,14H2,1-4H3.
What are the key properties of 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine?
3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine has a molecular weight of 365.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2,5,7-trimethylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 45270813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).