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2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine

C20H22N4O2 — CID 141351421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine
SMILESCC1(C)CN(c2cnc(Oc3ccc4c(c3)C(C3CC3)OC4)nc2)C=N1
InChIInChI=1S/C20H22N4O2/c1-20(2)11-24(12-23-20)15-8-21-19(22-9-15)26-16-6-5-14-10-25-18(13-3-4-13)17(14)7-16/h5-9,12-13,18H,3-4,10-11H2,1-2H3
InChIKeyWTGHCTGZCDVXFH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.88
Rot. Bonds4

About 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine

2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine (PubChem CID 141351421) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine
PubChem CID141351421
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine
SMILESCC1(C)CN(c2cnc(Oc3ccc4c(c3)C(C3CC3)OC4)nc2)C=N1
InChIInChI=1S/C20H22N4O2/c1-20(2)11-24(12-23-20)15-8-21-19(22-9-15)26-16-6-5-14-10-25-18(13-3-4-13)17(14)7-16/h5-9,12-13,18H,3-4,10-11H2,1-2H3
InChIKeyWTGHCTGZCDVXFH-UHFFFAOYSA-N
XLogP3.88
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine?
The IUPAC name of 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine (CID 141351421) is 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine.
What is the SMILES notation for 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine?
The canonical SMILES for 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine is CC1(C)CN(c2cnc(Oc3ccc4c(c3)C(C3CC3)OC4)nc2)C=N1.
What is the InChIKey of 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine?
The InChIKey is WTGHCTGZCDVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2)11-24(12-23-20)15-8-21-19(22-9-15)26-16-6-5-14-10-25-18(13-3-4-13)17(14)7-16/h5-9,12-13,18H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine?
2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine has a molecular weight of 350.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,3-dihydro-2-benzofuran-5-yl)oxy]-5-(5,5-dimethyl-4H-imidazol-3-yl)pyrimidine is sourced from PubChem (CID 141351421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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