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

C12H18FN3O2 — CID 167721913

IUPACtert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1=NC=C(C=N1)F
InChIInChI=1S/C12H18FN3O2/c1-11(2,3)18-10(17)16-12(4,5)9-14-6-8(13)7-15-9/h6-7H,1-5H3,(H,16,17)
InChIKeyXEBQSVMVUQFSAD-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.40
Rot. Bonds4

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

tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate (PubChem CID 167721913) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
PubChem CID167721913
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Nametert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1=NC=C(C=N1)F
InChIInChI=1S/C12H18FN3O2/c1-11(2,3)18-10(17)16-12(4,5)9-14-6-8(13)7-15-9/h6-7H,1-5H3,(H,16,17)
InChIKeyXEBQSVMVUQFSAD-UHFFFAOYSA-N
XLogP1.40
TPSA64.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity294

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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t-Butyl [2-(pyrimidin-2-yl)propan-2-yl]carbamate
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tert-butyl N-[4-[(5-fluoropyrimidin-2-yl)amino]but-2-enyl]carbamate
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tert-butyl N-(4-amino-5-fluoropyrimidin-2-yl)oxy-N-methylcarbamate
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tert-butyl N-(4-amino-5-fluoropyrimidin-2-yl)oxycarbamate
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{(R)-1-[(2-Chloro-5-fluoro-pyrimidin-4-ylamino)-methyl]-propyl}-carbamic acid tert-butyl ester
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate (CID 167721913) is tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C1=NC=C(C=N1)F.
What is the InChIKey of tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate?
The InChIKey is XEBQSVMVUQFSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-11(2,3)18-10(17)16-12(4,5)9-14-6-8(13)7-15-9/h6-7H,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate?
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate has a molecular weight of 255.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 167721913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).