N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine

C15H18BrN3S — CID 62287412

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1csc(Br)c1)c1ccnc(CNC2CC2)c1
InChIInChI=1S/C15H18BrN3S/c1-19(9-11-6-15(16)20-10-11)14-4-5-17-13(7-14)8-18-12-2-3-12/h4-7,10,12,18H,2-3,8-9H2,1H3
InChIKeyOVMULAUZVDNKPG-UHFFFAOYSA-N
MW352.30 g/mol
LogP3.79
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine

N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine (PubChem CID 62287412) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
PubChem CID62287412
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
SMILESCN(Cc1csc(Br)c1)c1ccnc(CNC2CC2)c1
InChIInChI=1S/C15H18BrN3S/c1-19(9-11-6-15(16)20-10-11)14-4-5-17-13(7-14)8-18-12-2-3-12/h4-7,10,12,18H,2-3,8-9H2,1H3
InChIKeyOVMULAUZVDNKPG-UHFFFAOYSA-N
XLogP3.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287410
2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine
CID 62293645
2-[(cyclopropylamino)methyl]-N-(4-ethylcyclohexyl)-N-methylpyridin-4-amine
CID 62288523
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
3-N-[(5-bromothiophen-3-yl)methyl]-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
CID 79409590
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62463688
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80805322
2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 62293189
N-methyl-N-[(4-methylphenyl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62280879
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62293572
N-[(5-bromothiophen-3-yl)methyl]-N'-cyclopropyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62260869

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine (CID 62287412) is N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine is CN(Cc1csc(Br)c1)c1ccnc(CNC2CC2)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine?
The InChIKey is OVMULAUZVDNKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-19(9-11-6-15(16)20-10-11)14-4-5-17-13(7-14)8-18-12-2-3-12/h4-7,10,12,18H,2-3,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine?
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine has a molecular weight of 352.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 62287412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).