tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate

C13H17FN4O3 — CID 67103191

IUPACtert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C(=O)N(c2ncc(F)cn2)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C13H17FN4O3/c1-13(2,3)21-10(19)9-7-18(12(20)17(9)4)11-15-5-8(14)6-16-11/h5-6,9H,7H2,1-4H3
InChIKeyKJKBOAALCLTFGS-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.20
Rot. Bonds2

About tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate

tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 67103191) has the molecular formula C13H17FN4O3 and a molecular weight of 296.30 g/mol. Its IUPAC name is tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate
PubChem CID67103191
Molecular FormulaC13H17FN4O3
Molecular Weight296.30 g/mol
Exact Mass296.13
IUPAC Nametert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C(=O)N(c2ncc(F)cn2)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C13H17FN4O3/c1-13(2,3)21-10(19)9-7-18(12(20)17(9)4)11-15-5-8(14)6-16-11/h5-6,9H,7H2,1-4H3
InChIKeyKJKBOAALCLTFGS-UHFFFAOYSA-N
XLogP1.20
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate (CID 67103191) is tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate is CN1C(=O)N(c2ncc(F)cn2)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is KJKBOAALCLTFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O3/c1-13(2,3)21-10(19)9-7-18(12(20)17(9)4)11-15-5-8(14)6-16-11/h5-6,9H,7H2,1-4H3.
What are the key properties of tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate?
tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 296.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 67103191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).