4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine

C18H20N4O3 — CID 86342380

IUPAC4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
SMILESCOc1ccc(-c2cn3ccc(N4CCOCC4)nc3n2)cc1OC
InChIInChI=1S/C18H20N4O3/c1-23-15-4-3-13(11-16(15)24-2)14-12-22-6-5-17(20-18(22)19-14)21-7-9-25-10-8-21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOXLCRXCXDSZGFG-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.25
Rot. Bonds4

About 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine

4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine (PubChem CID 86342380) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
PubChem CID86342380
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
SMILESCOc1ccc(-c2cn3ccc(N4CCOCC4)nc3n2)cc1OC
InChIInChI=1S/C18H20N4O3/c1-23-15-4-3-13(11-16(15)24-2)14-12-22-6-5-17(20-18(22)19-14)21-7-9-25-10-8-21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyOXLCRXCXDSZGFG-UHFFFAOYSA-N
XLogP2.25
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine (CID 86342380) is 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine is COc1ccc(-c2cn3ccc(N4CCOCC4)nc3n2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine?
The InChIKey is OXLCRXCXDSZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-23-15-4-3-13(11-16(15)24-2)14-12-22-6-5-17(20-18(22)19-14)21-7-9-25-10-8-21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine?
4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine has a molecular weight of 340.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 86342380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).