6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine

C13H14BrCl2N3S — CID 102758506

IUPAC6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCc2ccc(Br)s2)c(Cl)cc1Cl
InChIInChI=1S/C13H14BrCl2N3S/c1-2-5-17-12-9(15)6-10(16)13(19-12)18-7-8-3-4-11(14)20-8/h3-4,6H,2,5,7H2,1H3,(H2,17,18,19)
InChIKeyZBUVLPHIXZBAGR-UHFFFAOYSA-N
MW395.15 g/mol
LogP5.65
Rot. Bonds6

About 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine

6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine (PubChem CID 102758506) has the molecular formula C13H14BrCl2N3S and a molecular weight of 395.15 g/mol. Its IUPAC name is 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
PubChem CID102758506
Molecular FormulaC13H14BrCl2N3S
Molecular Weight395.15 g/mol
Exact Mass392.95
IUPAC Name6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(NCc2ccc(Br)s2)c(Cl)cc1Cl
InChIInChI=1S/C13H14BrCl2N3S/c1-2-5-17-12-9(15)6-10(16)13(19-12)18-7-8-3-4-11(14)20-8/h3-4,6H,2,5,7H2,1H3,(H2,17,18,19)
InChIKeyZBUVLPHIXZBAGR-UHFFFAOYSA-N
XLogP5.65
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.15
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102758505
2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836555
3,5-dichloro-2-N-propyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 102755816
3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106013087
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
3,5-dichloro-2-N-ethyl-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
CID 102757761
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102758253
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
6-N-[(5-bromothiophen-2-yl)methyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785336
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755127
3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine (CID 102758506) is 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine is CCCNc1nc(NCc2ccc(Br)s2)c(Cl)cc1Cl.
What is the InChIKey of 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The InChIKey is ZBUVLPHIXZBAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2N3S/c1-2-5-17-12-9(15)6-10(16)13(19-12)18-7-8-3-4-11(14)20-8/h3-4,6H,2,5,7H2,1H3,(H2,17,18,19).
What are the key properties of 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine has a molecular weight of 395.15 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102758506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).