3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine

C71H121Br2N21O10 — CID 158280324

IUPAC3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine
SMILESC.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(CBr)cn1.CC(C)(C)OC(=O)Nc1cnc(CCC#N)cn1.Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn1.Cc1cnc(N)cn1.N#CCCc1cnc(N)c(Br)n1.N#CCCc1cnc(N)cn1.[2H]CC
InChIInChI=1S/C15H22BrN3O4.C15H23N3O4.C12H16N4O2.C7H7BrN4.C7H8N4.C5H7N3.C2H6.8CH4/c1-14(2,3)22-12(20)19(13(21)23-15(4,5)6)11-9-17-10(7-16)8-18-11;1-10-8-17-11(9-16-10)18(12(19)21-14(2,3)4)13(20)22-15(5,6)7;1-12(2,3)18-11(17)16-10-8-14-9(7-15-10)5-4-6-13;8-6-7(10)11-4-5(12-6)2-1-3-9;8-3-1-2-6-4-11-7(9)5-10-6;1-4-2-8-5(6)3-7-4;1-2;;;;;;;;/h8-9H,7H2,1-6H3;8-9H,1-7H3;7-8H,4-5H2,1-3H3,(H,15,16,17);4H,1-2H2,(H2,10,11);4-5H,1-2H2,(H2,9,11);2-3H,1H3,(H2,6,8);1-2H3;8*1H4/i;;;;;;1D;;;;;;;;
InChIKeyGKDBQLNJEXGQEQ-MFVBVAGTSA-N
MW1589.70 g/mol
LogP18.06
Rot. Bonds10

About 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine

3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine (PubChem CID 158280324) has the molecular formula C71H121Br2N21O10 and a molecular weight of 1589.70 g/mol. Its IUPAC name is 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine
PubChem CID158280324
Molecular FormulaC71H121Br2N21O10
Molecular Weight1589.70 g/mol
Exact Mass1586.80
IUPAC Name3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine
SMILESC.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(CBr)cn1.CC(C)(C)OC(=O)Nc1cnc(CCC#N)cn1.Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn1.Cc1cnc(N)cn1.N#CCCc1cnc(N)c(Br)n1.N#CCCc1cnc(N)cn1.[2H]CC
InChIInChI=1S/C15H22BrN3O4.C15H23N3O4.C12H16N4O2.C7H7BrN4.C7H8N4.C5H7N3.C2H6.8CH4/c1-14(2,3)22-12(20)19(13(21)23-15(4,5)6)11-9-17-10(7-16)8-18-11;1-10-8-17-11(9-16-10)18(12(19)21-14(2,3)4)13(20)22-15(5,6)7;1-12(2,3)18-11(17)16-10-8-14-9(7-15-10)5-4-6-13;8-6-7(10)11-4-5(12-6)2-1-3-9;8-3-1-2-6-4-11-7(9)5-10-6;1-4-2-8-5(6)3-7-4;1-2;;;;;;;;/h8-9H,7H2,1-6H3;8-9H,1-7H3;7-8H,4-5H2,1-3H3,(H,15,16,17);4H,1-2H2,(H2,10,11);4-5H,1-2H2,(H2,9,11);2-3H,1H3,(H2,6,8);1-2H3;8*1H4/i;;;;;;1D;;;;;;;;
InChIKeyGKDBQLNJEXGQEQ-MFVBVAGTSA-N
XLogP18.06
TPSA454.12 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.70
LogP ≤ 518.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine with MolForge

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Related Compounds

tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
tert-butyl N-amino-N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate
CID 174798281
tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate
CID 118045562
tert-butyl N-amino-N-[3,5-bis(2-cyanoethyl)pyrazin-2-yl]carbamate
CID 174798458
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
2-[(2-methylpropan-2-yl)oxy]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 112605146
tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
CID 18926411
6-bromo-5-chloropyridin-2-amine;tert-butyl N-(6-bromo-5-chloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 161472878
tert-butyl N-[2-(3,3-difluorocyclobutanecarbonyl)-6-methylthieno[2,3-b]pyridin-3-yl]carbamate
CID 172582441

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine?
The IUPAC name of 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine (CID 158280324) is 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine.
What is the SMILES notation for 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine?
The canonical SMILES for 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine is C.C.C.C.C.C.C.C.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(CBr)cn1.CC(C)(C)OC(=O)Nc1cnc(CCC#N)cn1.Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn1.Cc1cnc(N)cn1.N#CCCc1cnc(N)c(Br)n1.N#CCCc1cnc(N)cn1.[2H]CC.
What is the InChIKey of 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine?
The InChIKey is GKDBQLNJEXGQEQ-MFVBVAGTSA-N. The full InChI is InChI=1S/C15H22BrN3O4.C15H23N3O4.C12H16N4O2.C7H7BrN4.C7H8N4.C5H7N3.C2H6.8CH4/c1-14(2,3)22-12(20)19(13(21)23-15(4,5)6)11-9-17-10(7-16)8-18-11;1-10-8-17-11(9-16-10)18(12(19)21-14(2,3)4)13(20)22-15(5,6)7;1-12(2,3)18-11(17)16-10-8-14-9(7-15-10)5-4-6-13;8-6-7(10)11-4-5(12-6)2-1-3-9;8-3-1-2-6-4-11-7(9)5-10-6;1-4-2-8-5(6)3-7-4;1-2;;;;;;;;/h8-9H,7H2,1-6H3;8-9H,1-7H3;7-8H,4-5H2,1-3H3,(H,15,16,17);4H,1-2H2,(H2,10,11);4-5H,1-2H2,(H2,9,11);2-3H,1H3,(H2,6,8);1-2H3;8*1H4/i;;;;;;1D;;;;;;;;.
What are the key properties of 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine?
3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine has a molecular weight of 1589.70 g/mol, XLogP of 18.06, 10 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-bromopyrazin-2-yl)propanenitrile;3-(5-aminopyrazin-2-yl)propanenitrile;tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[5-(2-cyanoethyl)pyrazin-2-yl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-methylpyrazin-2-yl)carbamate;deuterioethane;methane;5-methylpyrazin-2-amine is sourced from PubChem (CID 158280324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).