tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate

C11H17FN4O2 — CID 114518300

IUPACtert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cc(F)ncn1
InChIInChI=1S/C11H17FN4O2/c1-11(2,3)18-10(17)14-5-4-13-9-6-8(12)15-7-16-9/h6-7H,4-5H2,1-3H3,(H,14,17)(H,13,15,16)
InChIKeyRUTWFIHOUCMLIN-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.55
Rot. Bonds4

About tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate (PubChem CID 114518300) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate
PubChem CID114518300
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Nametert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cc(F)ncn1
InChIInChI=1S/C11H17FN4O2/c1-11(2,3)18-10(17)14-5-4-13-9-6-8(12)15-7-16-9/h6-7H,4-5H2,1-3H3,(H,14,17)(H,13,15,16)
InChIKeyRUTWFIHOUCMLIN-UHFFFAOYSA-N
XLogP1.55
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate (CID 114518300) is tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1cc(F)ncn1.
What is the InChIKey of tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate?
The InChIKey is RUTWFIHOUCMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-11(2,3)18-10(17)14-5-4-13-9-6-8(12)15-7-16-9/h6-7H,4-5H2,1-3H3,(H,14,17)(H,13,15,16).
What are the key properties of tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate has a molecular weight of 256.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 114518300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).