5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C28H40Br2N6O6 — CID 160881889

IUPAC5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)c(Br)cn1.Nc1cc(N2CCOCC2)c(Br)cn1
InChIInChI=1S/C19H28BrN3O5.C9H12BrN3O/c1-18(2,3)27-16(24)23(17(25)28-19(4,5)6)15-11-14(13(20)12-21-15)22-7-9-26-10-8-22;10-7-6-12-9(11)5-8(7)13-1-3-14-4-2-13/h11-12H,7-10H2,1-6H3;5-6H,1-4H2,(H2,11,12)
InChIKeySNDJATNDWGLVBA-UHFFFAOYSA-N
MW716.47 g/mol
LogP5.62
Rot. Bonds3

About 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 160881889) has the molecular formula C28H40Br2N6O6 and a molecular weight of 716.47 g/mol. Its IUPAC name is 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Name5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID160881889
Molecular FormulaC28H40Br2N6O6
Molecular Weight716.47 g/mol
Exact Mass714.14
IUPAC Name5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)c(Br)cn1.Nc1cc(N2CCOCC2)c(Br)cn1
InChIInChI=1S/C19H28BrN3O5.C9H12BrN3O/c1-18(2,3)27-16(24)23(17(25)28-19(4,5)6)15-11-14(13(20)12-21-15)22-7-9-26-10-8-22;10-7-6-12-9(11)5-8(7)13-1-3-14-4-2-13/h11-12H,7-10H2,1-6H3;5-6H,1-4H2,(H2,11,12)
InChIKeySNDJATNDWGLVBA-UHFFFAOYSA-N
XLogP5.62
TPSA132.58 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500716.47
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]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-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-ylpyridin-2-yl)carbamate
CID 59353329
tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 59353838
1-[5-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-3-ethylurea
CID 68641098
1-[5-Bromo-4-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-3-ethylurea
CID 68641514
prop-1-en-2-yl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89063156
Tert-butyl 4-(2-amino-5-bromo-4-pyridinyl)piperazine-1-carboxylate
CID 135335519
tert-butyl N-[3-bromo-5-methyl-4-[(E)-2-methyl-3-(pyridin-4-ylamino)prop-1-enyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane
CID 145136142
tert-butyl N-[6-[(4-aminopyridin-1-ium-1-yl)methyl]-4-bromo-7,8-dihydroisoquinolin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 145136217
5-bromopyridin-2-amine;tert-butyl N-(5-bromo-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 158578081
5-bromo-2-morpholin-4-ylpyridin-4-amine;tert-butyl 4-(4-amino-6-morpholin-4-yl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158861318
5-Bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 159187879
Tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(5-bromo-2-pyridinyl)amino]piperidine-1-carboxylate;2,5-dibromopyridine
CID 159561312

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 160881889) is 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)c(Br)cn1.Nc1cc(N2CCOCC2)c(Br)cn1.
What is the InChIKey of 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is SNDJATNDWGLVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O5.C9H12BrN3O/c1-18(2,3)27-16(24)23(17(25)28-19(4,5)6)15-11-14(13(20)12-21-15)22-7-9-26-10-8-22;10-7-6-12-9(11)5-8(7)13-1-3-14-4-2-13/h11-12H,7-10H2,1-6H3;5-6H,1-4H2,(H2,11,12).
What are the key properties of 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 716.47 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-morpholin-4-ylpyridin-2-amine;tert-butyl N-(5-bromo-4-morpholin-4-yl-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 160881889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).