tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate

C13H21FN4O2 — CID 141193453

IUPACtert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate
SMILESCC[C@H](CNc1ncncc1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H21FN4O2/c1-5-9(18-12(19)20-13(2,3)4)6-16-11-10(14)7-15-8-17-11/h7-9H,5-6H2,1-4H3,(H,18,19)(H,15,16,17)/t9-/m1/s1
InChIKeyQLBZOPZSIJBEKZ-SECBINFHSA-N
MW284.33 g/mol
LogP2.33
Rot. Bonds5

About tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate

tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate (PubChem CID 141193453) has the molecular formula C13H21FN4O2 and a molecular weight of 284.33 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate
PubChem CID141193453
Molecular FormulaC13H21FN4O2
Molecular Weight284.33 g/mol
Exact Mass284.16
IUPAC Nametert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate
SMILESCC[C@H](CNc1ncncc1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H21FN4O2/c1-5-9(18-12(19)20-13(2,3)4)6-16-11-10(14)7-15-8-17-11/h7-9H,5-6H2,1-4H3,(H,18,19)(H,15,16,17)/t9-/m1/s1
InChIKeyQLBZOPZSIJBEKZ-SECBINFHSA-N
XLogP2.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate (CID 141193453) is tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate is CC[C@H](CNc1ncncc1F)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate?
The InChIKey is QLBZOPZSIJBEKZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H21FN4O2/c1-5-9(18-12(19)20-13(2,3)4)6-16-11-10(14)7-15-8-17-11/h7-9H,5-6H2,1-4H3,(H,18,19)(H,15,16,17)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate has a molecular weight of 284.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(5-fluoropyrimidin-4-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 141193453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).