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

C12H12BrCl2N3S — CID 102758505

IUPAC6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(NCc2ccc(Br)s2)c(Cl)cc1Cl
InChIInChI=1S/C12H12BrCl2N3S/c1-2-16-11-8(14)5-9(15)12(18-11)17-6-7-3-4-10(13)19-7/h3-5H,2,6H2,1H3,(H2,16,17,18)
InChIKeyBOXWUJORQVNJQP-UHFFFAOYSA-N
MW381.13 g/mol
LogP5.26
Rot. Bonds5

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

6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine (PubChem CID 102758505) has the molecular formula C12H12BrCl2N3S and a molecular weight of 381.13 g/mol. Its IUPAC name is 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
PubChem CID102758505
Molecular FormulaC12H12BrCl2N3S
Molecular Weight381.13 g/mol
Exact Mass378.93
IUPAC Name6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1nc(NCc2ccc(Br)s2)c(Cl)cc1Cl
InChIInChI=1S/C12H12BrCl2N3S/c1-2-16-11-8(14)5-9(15)12(18-11)17-6-7-3-4-10(13)19-7/h3-5H,2,6H2,1H3,(H2,16,17,18)
InChIKeyBOXWUJORQVNJQP-UHFFFAOYSA-N
XLogP5.26
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.13
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102758506
3,5-dichloro-2-N-ethyl-6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,6-diamine
CID 102757761
3,5-dichloro-N-[(5-ethylthiophen-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106013087
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
N-[(5-bromothiophen-2-yl)methyl]-2,4,6-trichloroaniline
CID 28992400
2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836555
N-[(5-bromothiophen-2-yl)methyl]-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
CID 43740957
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132228
3,5-dichloro-2-N-ethyl-6-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,6-diamine
CID 114185511
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine (CID 102758505) is 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine is CCNc1nc(NCc2ccc(Br)s2)c(Cl)cc1Cl.
What is the InChIKey of 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine?
The InChIKey is BOXWUJORQVNJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2N3S/c1-2-16-11-8(14)5-9(15)12(18-11)17-6-7-3-4-10(13)19-7/h3-5H,2,6H2,1H3,(H2,16,17,18).
What are the key properties of 6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine?
6-N-[(5-bromothiophen-2-yl)methyl]-3,5-dichloro-2-N-ethylpyridine-2,6-diamine has a molecular weight of 381.13 g/mol, XLogP of 5.26, 5 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-ethylpyridine-2,6-diamine is sourced from PubChem (CID 102758505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).