2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate

C13H12BrCl2N5O2 — CID 175443022

IUPAC2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate
SMILESNC(=O)OCCNc1nc(N)c(-c2cccc(Cl)c2Cl)nc1Br
InChIInChI=1S/C13H12BrCl2N5O2/c14-10-12(19-4-5-23-13(18)22)21-11(17)9(20-10)6-2-1-3-7(15)8(6)16/h1-3H,4-5H2,(H2,18,22)(H3,17,19,21)
InChIKeyKERXIXCKMAFSBM-UHFFFAOYSA-N
MW421.08 g/mol
LogP3.30
Rot. Bonds5

About 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate

2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate (PubChem CID 175443022) has the molecular formula C13H12BrCl2N5O2 and a molecular weight of 421.08 g/mol. Its IUPAC name is 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate
PubChem CID175443022
Molecular FormulaC13H12BrCl2N5O2
Molecular Weight421.08 g/mol
Exact Mass418.96
IUPAC Name2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate
SMILESNC(=O)OCCNc1nc(N)c(-c2cccc(Cl)c2Cl)nc1Br
InChIInChI=1S/C13H12BrCl2N5O2/c14-10-12(19-4-5-23-13(18)22)21-11(17)9(20-10)6-2-1-3-7(15)8(6)16/h1-3H,4-5H2,(H2,18,22)(H3,17,19,21)
InChIKeyKERXIXCKMAFSBM-UHFFFAOYSA-N
XLogP3.30
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.08
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]ethoxy]ethyl methyl carbonate
CID 118166347
3-(2,3-dichlorophenyl)-6-N-(2-ethoxyethyl)pyrazine-2,6-diamine
CID 144867888
2-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-2-methylpropanoic acid
CID 118166248
2-(2-carbamothioyl-3-chloroanilino)ethyl carbamate
CID 83204135
N-[3-[[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]amino]-2-hydroxypropyl]-2-(2-methoxyethoxy)acetamide
CID 126643299
2-[(5,6-diamino-2-pyridinyl)amino]ethyl carbamate
CID 83201893
cyclohexane-1,2,3,4,5,6-hexol;6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;2-propylpentanoic acid
CID 73437652
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
CID 83214804
6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 172722895
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethyl carbamate
CID 83203927
2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethyl carbamate
CID 83202383
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate (CID 175443022) is 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate is NC(=O)OCCNc1nc(N)c(-c2cccc(Cl)c2Cl)nc1Br.
What is the InChIKey of 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate?
The InChIKey is KERXIXCKMAFSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N5O2/c14-10-12(19-4-5-23-13(18)22)21-11(17)9(20-10)6-2-1-3-7(15)8(6)16/h1-3H,4-5H2,(H2,18,22)(H3,17,19,21).
What are the key properties of 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate?
2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate has a molecular weight of 421.08 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-3-bromo-5-(2,3-dichlorophenyl)pyrazin-2-yl]amino]ethyl carbamate is sourced from PubChem (CID 175443022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).