N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine

C13H14BrN3O — CID 155403354

IUPACN-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine
SMILESCOc1cncc(NCc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H14BrN3O/c1-9-5-10(3-4-11(9)14)6-16-12-7-15-8-13(17-12)18-2/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyKDULACLUHFBKMR-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.17
Rot. Bonds4

About N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine

N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine (PubChem CID 155403354) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine
PubChem CID155403354
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine
SMILESCOc1cncc(NCc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H14BrN3O/c1-9-5-10(3-4-11(9)14)6-16-12-7-15-8-13(17-12)18-2/h3-5,7-8H,6H2,1-2H3,(H,16,17)
InChIKeyKDULACLUHFBKMR-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-6-methoxypyrazin-2-amine
CID 155403140
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 66473576
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 66473407
N-[(4-ethoxy-3-methylphenyl)methyl]-6-methylpyrazin-2-amine
CID 133470930
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]pyrazin-2-amine
CID 155403134
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
CID 993814
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
N-[(4-bromo-3-methylphenyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094562

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine (CID 155403354) is N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine is COc1cncc(NCc2ccc(Br)c(C)c2)n1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine?
The InChIKey is KDULACLUHFBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-5-10(3-4-11(9)14)6-16-12-7-15-8-13(17-12)18-2/h3-5,7-8H,6H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine?
N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-6-methoxypyrazin-2-amine is sourced from PubChem (CID 155403354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).