5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine

C19H21F3N4O2 — CID 118936580

IUPAC5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine
SMILESCC[C@]1(C)CN(c2cnc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)CN1
InChIInChI=1S/C19H21F3N4O2/c1-3-18(2)10-26(11-25-18)13-7-23-17(24-8-13)28-14-5-4-12-9-27-16(15(12)6-14)19(20,21)22/h4-8,16,25H,3,9-11H2,1-2H3/t16?,18-/m1/s1
InChIKeyCWOPQOCYCGLNHS-UHUGOGIASA-N
MW394.40 g/mol
LogP3.94
Rot. Bonds4

About 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine

5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine (PubChem CID 118936580) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine.

Molecular Properties

Compound Name5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine
PubChem CID118936580
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine
SMILESCC[C@]1(C)CN(c2cnc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)CN1
InChIInChI=1S/C19H21F3N4O2/c1-3-18(2)10-26(11-25-18)13-7-23-17(24-8-13)28-14-5-4-12-9-27-16(15(12)6-14)19(20,21)22/h4-8,16,25H,3,9-11H2,1-2H3/t16?,18-/m1/s1
InChIKeyCWOPQOCYCGLNHS-UHUGOGIASA-N
XLogP3.94
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine?
The IUPAC name of 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine (CID 118936580) is 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine.
What is the SMILES notation for 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine?
The canonical SMILES for 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine is CC[C@]1(C)CN(c2cnc(Oc3ccc4c(c3)C(C(F)(F)F)OC4)nc2)CN1.
What is the InChIKey of 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine?
The InChIKey is CWOPQOCYCGLNHS-UHUGOGIASA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-3-18(2)10-26(11-25-18)13-7-23-17(24-8-13)28-14-5-4-12-9-27-16(15(12)6-14)19(20,21)22/h4-8,16,25H,3,9-11H2,1-2H3/t16?,18-/m1/s1.
What are the key properties of 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine?
5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine has a molecular weight of 394.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-4-ethyl-4-methylimidazolidin-1-yl]-2-[[3-(trifluoromethyl)-1,3-dihydro-2-benzofuran-5-yl]oxy]pyrimidine is sourced from PubChem (CID 118936580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).