N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine

C10H10BrN3S — CID 83063898

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCc1ccc(Br)s1
InChIInChI=1S/C10H10BrN3S/c1-7-10(13-5-4-12-7)14-6-8-2-3-9(11)15-8/h2-5H,6H2,1H3,(H,13,14)
InChIKeyKJEHJQGDWPKCHL-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.22
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine

N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine (PubChem CID 83063898) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
PubChem CID83063898
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCc1ccc(Br)s1
InChIInChI=1S/C10H10BrN3S/c1-7-10(13-5-4-12-7)14-6-8-2-3-9(11)15-8/h2-5H,6H2,1H3,(H,13,14)
InChIKeyKJEHJQGDWPKCHL-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carbonitrile
CID 62672701
ethyl 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carboxylate
CID 67086610
4-N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80836650
ethyl 2-[(5-bromothiophen-2-yl)methylamino]pyridine-3-carboxylate
CID 54900601
2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132228
3-amino-2-[(5-bromothiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 82814128
4-N-[(5-bromothiophen-2-yl)methyl]-5-ethylpyrimidine-4,6-diamine
CID 80838008
N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006916
4-[(5-bromothiophen-2-yl)methylamino]-2-methylpyrimidine-5-carboxylic acid
CID 115148779
4-N-[(5-bromothiophen-2-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837341
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine (CID 83063898) is N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine is Cc1nccnc1NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine?
The InChIKey is KJEHJQGDWPKCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-7-10(13-5-4-12-7)14-6-8-2-3-9(11)15-8/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine has a molecular weight of 284.18 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 83063898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).