2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate

C28H43BrCl2N8O4 — CID 158644505

IUPAC2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cncc(Cl)n2)CC1.Clc1cncc(Br)n1
InChIInChI=1S/C14H21ClN4O2.C10H20N2O2.C4H2BrClN2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)17-12-9-16-8-11(15)18-12;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;5-3-1-7-2-4(6)8-3/h8-10H,4-7H2,1-3H3,(H,17,18);8H,4-7,11H2,1-3H3;1-2H
InChIKeyIAUJQKVFYONFAO-UHFFFAOYSA-N
MW706.51 g/mol
LogP6.18
Rot. Bonds2

About 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate

2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 158644505) has the molecular formula C28H43BrCl2N8O4 and a molecular weight of 706.51 g/mol. Its IUPAC name is 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID158644505
Molecular FormulaC28H43BrCl2N8O4
Molecular Weight706.51 g/mol
Exact Mass704.20
IUPAC Name2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cncc(Cl)n2)CC1.Clc1cncc(Br)n1
InChIInChI=1S/C14H21ClN4O2.C10H20N2O2.C4H2BrClN2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)17-12-9-16-8-11(15)18-12;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;5-3-1-7-2-4(6)8-3/h8-10H,4-7H2,1-3H3,(H,17,18);8H,4-7,11H2,1-3H3;1-2H
InChIKeyIAUJQKVFYONFAO-UHFFFAOYSA-N
XLogP6.18
TPSA148.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.51
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(6-bromopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 155098015
tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(5-bromo-2-pyridinyl)amino]piperidine-1-carboxylate;2,5-dibromopyridine
CID 159561312
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
5-bromopyrimidine;tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 162047212
tert-butyl 4-[(5-chloro-4-iodo-2-pyridinyl)amino]piperidine-1-carboxylate
CID 66936969
tert-butyl 4-[(3,6-dichloropyridazin-4-yl)amino]piperidine-1-carboxylate;ethane
CID 144627218
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
tert-butyl 4-[(3-bromo-5-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 68897720
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 168758594
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
CID 87578550

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate (CID 158644505) is 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(Nc2cncc(Cl)n2)CC1.Clc1cncc(Br)n1.
What is the InChIKey of 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is IAUJQKVFYONFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2.C10H20N2O2.C4H2BrClN2/c1-14(2,3)21-13(20)19-6-4-10(5-7-19)17-12-9-16-8-11(15)18-12;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;5-3-1-7-2-4(6)8-3/h8-10H,4-7H2,1-3H3,(H,17,18);8H,4-7,11H2,1-3H3;1-2H.
What are the key properties of 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate?
2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 706.51 g/mol, XLogP of 6.18, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloropyrazine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[(6-chloropyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 158644505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).