tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate

C12H18BrN3O2 — CID 172851620

IUPACtert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
SMILESCC(Cc1ncc(Br)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H18BrN3O2/c1-8(16-11(17)18-12(2,3)4)5-10-14-6-9(13)7-15-10/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyYDLWLLCXMOQULA-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.69
Rot. Bonds3

About tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate

tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate (PubChem CID 172851620) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
PubChem CID172851620
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Nametert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
SMILESCC(Cc1ncc(Br)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H18BrN3O2/c1-8(16-11(17)18-12(2,3)4)5-10-14-6-9(13)7-15-10/h6-8H,5H2,1-4H3,(H,16,17)
InChIKeyYDLWLLCXMOQULA-UHFFFAOYSA-N
XLogP2.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate
CID 175742159
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]carbamate
CID 175230799
methyl (2S)-3-(5-bromo-3-fluoro-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 166544611
(3R)-3-(3,5-dibromo-2-pyridinyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 103840504
tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate
CID 177040114
tert-butyl N-[3-[(5-bromopyrimidin-2-yl)amino]propyl]carbamate
CID 115619288
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
tert-butyl N-[1-[(3,5-dibromo-6-methyl-2-pyridinyl)oxy]propan-2-yl]carbamate
CID 175410962
(2R)-2-[(1S)-1-(5-bromopyrimidin-2-yl)ethyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118511762
tert-butyl N-[(E,2S)-5-(2-aminopyrimidin-5-yl)pent-4-en-2-yl]carbamate
CID 178023889
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate (CID 172851620) is tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate is CC(Cc1ncc(Br)cn1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate?
The InChIKey is YDLWLLCXMOQULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-8(16-11(17)18-12(2,3)4)5-10-14-6-9(13)7-15-10/h6-8H,5H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate has a molecular weight of 316.20 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 172851620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).