4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine

C21H25N5O — CID 50952069

IUPAC4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine
SMILESCCc1nccc(-c2c(-c3ccccc3)ncn2CCN2CCOCC2)n1
InChIInChI=1S/C21H25N5O/c1-2-19-22-9-8-18(24-19)21-20(17-6-4-3-5-7-17)23-16-26(21)11-10-25-12-14-27-15-13-25/h3-9,16H,2,10-15H2,1H3
InChIKeyUWMHNJCOFZCLRW-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.90
Rot. Bonds6

About 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine

4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine (PubChem CID 50952069) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine
PubChem CID50952069
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine
SMILESCCc1nccc(-c2c(-c3ccccc3)ncn2CCN2CCOCC2)n1
InChIInChI=1S/C21H25N5O/c1-2-19-22-9-8-18(24-19)21-20(17-6-4-3-5-7-17)23-16-26(21)11-10-25-12-14-27-15-13-25/h3-9,16H,2,10-15H2,1H3
InChIKeyUWMHNJCOFZCLRW-UHFFFAOYSA-N
XLogP2.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine (CID 50952069) is 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine is CCc1nccc(-c2c(-c3ccccc3)ncn2CCN2CCOCC2)n1.
What is the InChIKey of 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine?
The InChIKey is UWMHNJCOFZCLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-2-19-22-9-8-18(24-19)21-20(17-6-4-3-5-7-17)23-16-26(21)11-10-25-12-14-27-15-13-25/h3-9,16H,2,10-15H2,1H3.
What are the key properties of 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine?
4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine has a molecular weight of 363.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 50952069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).