2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline

C26H25N3O — CID 123316417

IUPAC2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
SMILESCCc1ccc(-c2cnc(C)nc2OCC2CC2c2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H25N3O/c1-3-18-8-10-19(11-9-18)23-15-27-17(2)28-26(23)30-16-21-14-22(21)25-13-12-20-6-4-5-7-24(20)29-25/h4-13,15,21-22H,3,14,16H2,1-2H3
InChIKeyHZNDLOSLYWMEMT-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.75
Rot. Bonds6

About 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline

2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline (PubChem CID 123316417) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline.

Molecular Properties

Compound Name2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
PubChem CID123316417
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
SMILESCCc1ccc(-c2cnc(C)nc2OCC2CC2c2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H25N3O/c1-3-18-8-10-19(11-9-18)23-15-27-17(2)28-26(23)30-16-21-14-22(21)25-13-12-20-6-4-5-7-24(20)29-25/h4-13,15,21-22H,3,14,16H2,1-2H3
InChIKeyHZNDLOSLYWMEMT-UHFFFAOYSA-N
XLogP5.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline
CID 123547376
3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 144632470
1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160122
2-[(1S,2S)-2-[[5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 118468055
1-[5-[2-methyl-4-[[(2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]cyclopentan-1-ol
CID 129167339
2-[[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]oxy]propane-1,3-diol
CID 123269816
3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazole
CID 123839926
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273
1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol
CID 123926099
3-methyl-6-[2-methyl-4-[[(2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]imidazo[1,2-a]pyridine
CID 129167406
4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
CID 90182156
N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide
CID 144632643

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The IUPAC name of 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline (CID 123316417) is 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline.
What is the SMILES notation for 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The canonical SMILES for 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline is CCc1ccc(-c2cnc(C)nc2OCC2CC2c2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
The InChIKey is HZNDLOSLYWMEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-3-18-8-10-19(11-9-18)23-15-27-17(2)28-26(23)30-16-21-14-22(21)25-13-12-20-6-4-5-7-24(20)29-25/h4-13,15,21-22H,3,14,16H2,1-2H3.
What are the key properties of 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline?
2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline has a molecular weight of 395.51 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline is sourced from PubChem (CID 123316417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).