5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine

C13H15BrN4 — CID 103056056

IUPAC5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine
SMILESCN(Cc1cccc(Br)c1)Cc1cnc(N)cn1
InChIInChI=1S/C13H15BrN4/c1-18(8-10-3-2-4-11(14)5-10)9-12-6-17-13(15)7-16-12/h2-7H,8-9H2,1H3,(H2,15,17)
InChIKeyDZSIRBFPSZZKAO-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.45
Rot. Bonds4

About 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine

5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine (PubChem CID 103056056) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine
PubChem CID103056056
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine
SMILESCN(Cc1cccc(Br)c1)Cc1cnc(N)cn1
InChIInChI=1S/C13H15BrN4/c1-18(8-10-3-2-4-11(14)5-10)9-12-6-17-13(15)7-16-12/h2-7H,8-9H2,1H3,(H2,15,17)
InChIKeyDZSIRBFPSZZKAO-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448
3-[[(3-bromophenyl)methyl-methylamino]methyl]pyridin-2-amine
CID 62465546
2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182152
[3-[[(3-bromophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62893469
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
3-[[(3-bromophenyl)methyl-methylamino]methyl]-4-chloroaniline
CID 61415895
5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methoxyaniline
CID 61415802
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
1-(3-bromophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylmethanamine
CID 22194310
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
CID 103055545
3-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 104797610

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine?
The IUPAC name of 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine (CID 103056056) is 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine?
The canonical SMILES for 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine is CN(Cc1cccc(Br)c1)Cc1cnc(N)cn1.
What is the InChIKey of 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine?
The InChIKey is DZSIRBFPSZZKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-18(8-10-3-2-4-11(14)5-10)9-12-6-17-13(15)7-16-12/h2-7H,8-9H2,1H3,(H2,15,17).
What are the key properties of 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine?
5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine has a molecular weight of 307.20 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-bromophenyl)methyl-methylamino]methyl]pyrazin-2-amine is sourced from PubChem (CID 103056056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).