4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine

C18H19ClN4O — CID 122183044

IUPAC4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine
SMILESCc1ccn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C18H19ClN4O/c1-13-6-7-23-16(12-22-8-10-24-11-9-22)17(21-18(23)20-13)14-2-4-15(19)5-3-14/h2-7H,8-12H2,1H3
InChIKeyJGDCHZHRDXSVMW-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.19
Rot. Bonds3

About 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine

4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine (PubChem CID 122183044) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine
PubChem CID122183044
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine
SMILESCc1ccn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C18H19ClN4O/c1-13-6-7-23-16(12-22-8-10-24-11-9-22)17(21-18(23)20-13)14-2-4-15(19)5-3-14/h2-7H,8-12H2,1H3
InChIKeyJGDCHZHRDXSVMW-UHFFFAOYSA-N
XLogP3.19
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine (CID 122183044) is 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine is Cc1ccn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2n1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine?
The InChIKey is JGDCHZHRDXSVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-13-6-7-23-16(12-22-8-10-24-11-9-22)17(21-18(23)20-13)14-2-4-15(19)5-3-14/h2-7H,8-12H2,1H3.
What are the key properties of 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine has a molecular weight of 342.83 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-3-yl]methyl]morpholine is sourced from PubChem (CID 122183044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).