tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate

C12H17FN4O3 — CID 166337957

IUPACtert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)Nc1cnc(F)nc1
InChIInChI=1S/C12H17FN4O3/c1-7(16-11(19)20-12(2,3)4)9(18)17-8-5-14-10(13)15-6-8/h5-7H,1-4H3,(H,16,19)(H,17,18)
InChIKeyHHVMOWIDFBWQCH-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.47
Rot. Bonds3

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

tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 166337957) has the molecular formula C12H17FN4O3 and a molecular weight of 284.29 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID166337957
Molecular FormulaC12H17FN4O3
Molecular Weight284.29 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)Nc1cnc(F)nc1
InChIInChI=1S/C12H17FN4O3/c1-7(16-11(19)20-12(2,3)4)9(18)17-8-5-14-10(13)15-6-8/h5-7H,1-4H3,(H,16,19)(H,17,18)
InChIKeyHHVMOWIDFBWQCH-UHFFFAOYSA-N
XLogP1.47
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate (CID 166337957) is tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)Nc1cnc(F)nc1.
What is the InChIKey of tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is HHVMOWIDFBWQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O3/c1-7(16-11(19)20-12(2,3)4)9(18)17-8-5-14-10(13)15-6-8/h5-7H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 284.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-fluoropyrimidin-5-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 166337957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).