3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine

C12H13BrN4 — CID 113228946

IUPAC3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
SMILESCN(Cc1cccc(Br)c1)c1nccnc1N
InChIInChI=1S/C12H13BrN4/c1-17(12-11(14)15-5-6-16-12)8-9-3-2-4-10(13)7-9/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyMPQBTGKSQREUQQ-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.46
Rot. Bonds3

About 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine

3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine (PubChem CID 113228946) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
PubChem CID113228946
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine
SMILESCN(Cc1cccc(Br)c1)c1nccnc1N
InChIInChI=1S/C12H13BrN4/c1-17(12-11(14)15-5-6-16-12)8-9-3-2-4-10(13)7-9/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyMPQBTGKSQREUQQ-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 62683505
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167
3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 62465546
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
4-N-[(3-bromophenyl)methyl]-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80986668
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
N-[(3-bromophenyl)methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 66340843
N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80979906
3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
CID 113228940
N-[(3-bromophenyl)methyl]-5-(chloromethyl)-N,2-dimethylpyrimidin-4-amine
CID 114215414
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine?
The IUPAC name of 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine (CID 113228946) is 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine is CN(Cc1cccc(Br)c1)c1nccnc1N.
What is the InChIKey of 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine?
The InChIKey is MPQBTGKSQREUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17(12-11(14)15-5-6-16-12)8-9-3-2-4-10(13)7-9/h2-7H,8H2,1H3,(H2,14,15).
What are the key properties of 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine?
3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-bromophenyl)methyl]-3-N-methylpyrazine-2,3-diamine is sourced from PubChem (CID 113228946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).