2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine

C15H19BrN4 — CID 80847855

IUPAC2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2c(C)cc(Br)cc2C)n1
InChIInChI=1S/C15H19BrN4/c1-4-5-18-13-8-17-9-14(19-13)20-15-10(2)6-12(16)7-11(15)3/h6-9H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyAGJNYPXCFIMSAT-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.42
Rot. Bonds5

About 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine

2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 80847855) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID80847855
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2c(C)cc(Br)cc2C)n1
InChIInChI=1S/C15H19BrN4/c1-4-5-18-13-8-17-9-14(19-13)20-15-10(2)6-12(16)7-11(15)3/h6-9H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyAGJNYPXCFIMSAT-UHFFFAOYSA-N
XLogP4.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 104725516
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80755206
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine
CID 114223074
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273
2-N-[2-(diethylamino)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80769930
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine (CID 80847855) is 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(Nc2c(C)cc(Br)cc2C)n1.
What is the InChIKey of 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is AGJNYPXCFIMSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-4-5-18-13-8-17-9-14(19-13)20-15-10(2)6-12(16)7-11(15)3/h6-9H,4-5H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80847855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).