tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate

C15H16FN3O2 — CID 66968434

IUPACtert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cnc(F)nc2)cc1
InChIInChI=1S/C15H16FN3O2/c1-15(2,3)21-14(20)19-12-6-4-10(5-7-12)11-8-17-13(16)18-9-11/h4-9H,1-3H3,(H,19,20)
InChIKeyBAAGDTKWMMFANQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.63
Rot. Bonds2

About tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate

tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate (PubChem CID 66968434) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate
PubChem CID66968434
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Nametert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cnc(F)nc2)cc1
InChIInChI=1S/C15H16FN3O2/c1-15(2,3)21-14(20)19-12-6-4-10(5-7-12)11-8-17-13(16)18-9-11/h4-9H,1-3H3,(H,19,20)
InChIKeyBAAGDTKWMMFANQ-UHFFFAOYSA-N
XLogP3.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate (CID 66968434) is tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2cnc(F)nc2)cc1.
What is the InChIKey of tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate?
The InChIKey is BAAGDTKWMMFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-15(2,3)21-14(20)19-12-6-4-10(5-7-12)11-8-17-13(16)18-9-11/h4-9H,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate?
tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate has a molecular weight of 289.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-fluoropyrimidin-5-yl)phenyl]carbamate is sourced from PubChem (CID 66968434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).