4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine

C22H30N4O2 — CID 50983209

IUPAC4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
SMILESCCc1cc(-c2ccc(C(C)N3CCOCC3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H30N4O2/c1-3-20-16-21(24-22(23-20)26-10-14-28-15-11-26)19-6-4-18(5-7-19)17(2)25-8-12-27-13-9-25/h4-7,16-17H,3,8-15H2,1-2H3
InChIKeyNTYPDRCRMDFHRP-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.94
Rot. Bonds5

About 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine

4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine (PubChem CID 50983209) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
PubChem CID50983209
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
SMILESCCc1cc(-c2ccc(C(C)N3CCOCC3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H30N4O2/c1-3-20-16-21(24-22(23-20)26-10-14-28-15-11-26)19-6-4-18(5-7-19)17(2)25-8-12-27-13-9-25/h4-7,16-17H,3,8-15H2,1-2H3
InChIKeyNTYPDRCRMDFHRP-UHFFFAOYSA-N
XLogP2.94
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
4-[4-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 39756782
[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022744
4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
4-[(1S)-1-[4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenyl]ethyl]morpholine
CID 125445772
4-[(1R)-1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)phenyl]ethyl]morpholine
CID 126445943
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 2992799
4-[(1R)-1-[4-(6-methylpyrazino[2,3-b]pyrazin-2-yl)phenyl]ethyl]morpholine
CID 126441384
4-[(1S)-1-[4-(2-ethyl-1,2,4-triazol-3-yl)phenyl]ethyl]morpholine
CID 126444550
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122563480
6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50957093
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]ethanamine;hydrochloride
CID 82021927

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine (CID 50983209) is 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine is CCc1cc(-c2ccc(C(C)N3CCOCC3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine?
The InChIKey is NTYPDRCRMDFHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-20-16-21(24-22(23-20)26-10-14-28-15-11-26)19-6-4-18(5-7-19)17(2)25-8-12-27-13-9-25/h4-7,16-17H,3,8-15H2,1-2H3.
What are the key properties of 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine?
4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine has a molecular weight of 382.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 50983209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).