2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine

C14H17BrN4 — CID 80755206

IUPAC2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN4/c1-2-7-17-13-9-16-10-14(19-13)18-8-11-3-5-12(15)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H2,17,18,19)
InChIKeyZTZZTWBTSATAMO-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.67
Rot. Bonds6

About 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine

2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80755206) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80755206
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN4/c1-2-7-17-13-9-16-10-14(19-13)18-8-11-3-5-12(15)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H2,17,18,19)
InChIKeyZTZZTWBTSATAMO-UHFFFAOYSA-N
XLogP3.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532080
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
2-N-[(2-ethylphenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80845005
2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80847855
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80793098
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
2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
CID 80822691
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80813147
4-[[[6-(propylamino)-2-pyridinyl]amino]methyl]benzonitrile
CID 80821765

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine (CID 80755206) is 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NCc2ccc(Br)cc2)n1.
What is the InChIKey of 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is ZTZZTWBTSATAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-2-7-17-13-9-16-10-14(19-13)18-8-11-3-5-12(15)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H2,17,18,19).
What are the key properties of 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80755206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).