4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine

C12H14BrN3S — CID 62464675

IUPAC4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine
SMILESCN(Cc1ccnc(N)c1)Cc1csc(Br)c1
InChIInChI=1S/C12H14BrN3S/c1-16(7-10-4-11(13)17-8-10)6-9-2-3-15-12(14)5-9/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyMKZBAKJNCIKRHO-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.12
Rot. Bonds4

About 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine

4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine (PubChem CID 62464675) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine
PubChem CID62464675
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine
SMILESCN(Cc1ccnc(N)c1)Cc1csc(Br)c1
InChIInChI=1S/C12H14BrN3S/c1-16(7-10-4-11(13)17-8-10)6-9-2-3-15-12(14)5-9/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyMKZBAKJNCIKRHO-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 63883829
4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
CID 62472016
4-[(dimethylamino)methyl]pyridin-2-amine
CID 45088278
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80805322
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208958
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-benzoxazol-6-amine
CID 79994684
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methoxyaniline
CID 107208321
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]benzonitrile
CID 54942356
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
1-(3-bromo-5-fluorophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylmethanamine
CID 79706654
3-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910058
4-[[cyclobutylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62861916

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine?
The IUPAC name of 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine (CID 62464675) is 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine is CN(Cc1ccnc(N)c1)Cc1csc(Br)c1.
What is the InChIKey of 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine?
The InChIKey is MKZBAKJNCIKRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-16(7-10-4-11(13)17-8-10)6-9-2-3-15-12(14)5-9/h2-5,8H,6-7H2,1H3,(H2,14,15).
What are the key properties of 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine?
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine has a molecular weight of 312.24 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine is sourced from PubChem (CID 62464675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).