2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine

C14H16BrClN4 — CID 104725516

IUPAC2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C14H16BrClN4/c1-3-4-18-13-7-17-8-14(20-13)19-12-6-11(16)9(2)5-10(12)15/h5-8H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyRGIRPUJVONHNRH-UHFFFAOYSA-N
MW355.67 g/mol
LogP4.77
Rot. Bonds5

About 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine

2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 104725516) has the molecular formula C14H16BrClN4 and a molecular weight of 355.67 g/mol. Its IUPAC name is 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID104725516
Molecular FormulaC14H16BrClN4
Molecular Weight355.67 g/mol
Exact Mass354.02
IUPAC Name2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C14H16BrClN4/c1-3-4-18-13-7-17-8-14(20-13)19-12-6-11(16)9(2)5-10(12)15/h5-8H,3-4H2,1-2H3,(H2,18,19,20)
InChIKeyRGIRPUJVONHNRH-UHFFFAOYSA-N
XLogP4.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,5-dichloro-4-methylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 104728613
2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80847855
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 104725572
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
6-chloro-N-propylpyrazin-2-amine
CID 26370207
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 104725527
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
2-bromo-5-chloro-4-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881041

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine (CID 104725516) is 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(Nc2cc(Cl)c(C)cc2Br)n1.
What is the InChIKey of 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is RGIRPUJVONHNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4/c1-3-4-18-13-7-17-8-14(20-13)19-12-6-11(16)9(2)5-10(12)15/h5-8H,3-4H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 355.67 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 104725516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).