tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate

C15H24BrClN4O2 — CID 87428396

IUPACtert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](Nc1nc(Cl)ncc1Br)C(C)(C)C
InChIInChI=1S/C15H24BrClN4O2/c1-14(2,3)10(8-19-13(22)23-15(4,5)6)20-11-9(16)7-18-12(17)21-11/h7,10H,8H2,1-6H3,(H,19,22)(H,18,20,21)/t10-/m0/s1
InChIKeyFADBBKWBMKJEAF-JTQLQIEISA-N
MW407.74 g/mol
LogP4.24
Rot. Bonds4

About tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate

tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate (PubChem CID 87428396) has the molecular formula C15H24BrClN4O2 and a molecular weight of 407.74 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate
PubChem CID87428396
Molecular FormulaC15H24BrClN4O2
Molecular Weight407.74 g/mol
Exact Mass406.08
IUPAC Nametert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](Nc1nc(Cl)ncc1Br)C(C)(C)C
InChIInChI=1S/C15H24BrClN4O2/c1-14(2,3)10(8-19-13(22)23-15(4,5)6)20-11-9(16)7-18-12(17)21-11/h7,10H,8H2,1-6H3,(H,19,22)(H,18,20,21)/t10-/m0/s1
InChIKeyFADBBKWBMKJEAF-JTQLQIEISA-N
XLogP4.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-phenylethyl]carbamate
CID 86695599
tert-butyl N-[[1-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclopentyl]methyl]carbamate
CID 86695607
tert-butyl 3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 58423743
tert-butyl N-[[4-[(5-amino-2-chloropyrimidin-4-yl)amino]phenyl]methyl]carbamate;ethane
CID 144742959
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
CID 116861265
tert-butyl N-[2-[(2-chloro-5-nitropyrimidin-4-yl)amino]ethyl]carbamate
CID 88992170
N-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]-4-methylbenzamide
CID 106192847
methyl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentanoate
CID 89401979
1-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-methylsulfanylpropan-2-one
CID 163642468
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352563
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499
tert-butyl N-[2-[(5-bromopyrimidin-4-yl)amino]ethyl]carbamate
CID 115714879

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate (CID 87428396) is tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate is CC(C)(C)OC(=O)NC[C@H](Nc1nc(Cl)ncc1Br)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate?
The InChIKey is FADBBKWBMKJEAF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24BrClN4O2/c1-14(2,3)10(8-19-13(22)23-15(4,5)6)20-11-9(16)7-18-12(17)21-11/h7,10H,8H2,1-6H3,(H,19,22)(H,18,20,21)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate?
tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate has a molecular weight of 407.74 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-3,3-dimethylbutyl]carbamate is sourced from PubChem (CID 87428396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).