2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine

C22H27F3N4O3 — CID 177185925

IUPAC2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(Oc2cccc(N3CCCC3)c2)cn1.NC(=O)COCC1CCC1
InChIInChI=1S/C15H14F3N3O.C7H13NO2/c16-15(17,18)14-19-9-13(10-20-14)22-12-5-3-4-11(8-12)21-6-1-2-7-21;8-7(9)5-10-4-6-2-1-3-6/h3-5,8-10H,1-2,6-7H2;6H,1-5H2,(H2,8,9)
InChIKeyVARICVNDDWXWOM-UHFFFAOYSA-N
MW452.48 g/mol
LogP4.18
Rot. Bonds7

About 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine

2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 177185925) has the molecular formula C22H27F3N4O3 and a molecular weight of 452.48 g/mol. Its IUPAC name is 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID177185925
Molecular FormulaC22H27F3N4O3
Molecular Weight452.48 g/mol
Exact Mass452.20
IUPAC Name2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ncc(Oc2cccc(N3CCCC3)c2)cn1.NC(=O)COCC1CCC1
InChIInChI=1S/C15H14F3N3O.C7H13NO2/c16-15(17,18)14-19-9-13(10-20-14)22-12-5-3-4-11(8-12)21-6-1-2-7-21;8-7(9)5-10-4-6-2-1-3-6/h3-5,8-10H,1-2,6-7H2;6H,1-5H2,(H2,8,9)
InChIKeyVARICVNDDWXWOM-UHFFFAOYSA-N
XLogP4.18
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine (CID 177185925) is 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1ncc(Oc2cccc(N3CCCC3)c2)cn1.NC(=O)COCC1CCC1.
What is the InChIKey of 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is VARICVNDDWXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O.C7H13NO2/c16-15(17,18)14-19-9-13(10-20-14)22-12-5-3-4-11(8-12)21-6-1-2-7-21;8-7(9)5-10-4-6-2-1-3-6/h3-5,8-10H,1-2,6-7H2;6H,1-5H2,(H2,8,9).
What are the key properties of 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine?
2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 452.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethoxy)acetamide;5-(3-pyrrolidin-1-ylphenoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 177185925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).