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

C17H18N4O — CID 86342283

IUPAC4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
SMILESCc1ccc(-c2cn3ccc(N4CCOCC4)nc3n2)cc1
InChIInChI=1S/C17H18N4O/c1-13-2-4-14(5-3-13)15-12-21-7-6-16(19-17(21)18-15)20-8-10-22-11-9-20/h2-7,12H,8-11H2,1H3
InChIKeyPQRSYWZSRGBNJQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.54
Rot. Bonds2

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

4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine (PubChem CID 86342283) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
PubChem CID86342283
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine
SMILESCc1ccc(-c2cn3ccc(N4CCOCC4)nc3n2)cc1
InChIInChI=1S/C17H18N4O/c1-13-2-4-14(5-3-13)15-12-21-7-6-16(19-17(21)18-15)20-8-10-22-11-9-20/h2-7,12H,8-11H2,1H3
InChIKeyPQRSYWZSRGBNJQ-UHFFFAOYSA-N
XLogP2.54
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine (CID 86342283) is 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine is Cc1ccc(-c2cn3ccc(N4CCOCC4)nc3n2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine?
The InChIKey is PQRSYWZSRGBNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13-2-4-14(5-3-13)15-12-21-7-6-16(19-17(21)18-15)20-8-10-22-11-9-20/h2-7,12H,8-11H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine?
4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine has a molecular weight of 294.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 86342283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).