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

C11H12BrN3S — CID 81132228

IUPAC2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(NCc2ccc(Br)s2)n1
InChIInChI=1S/C11H12BrN3S/c1-7-2-4-9(13)11(15-7)14-6-8-3-5-10(12)16-8/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyLCYLPYVEFOMXAS-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.41
Rot. Bonds3

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

2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine (PubChem CID 81132228) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
PubChem CID81132228
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
SMILESCc1ccc(N)c(NCc2ccc(Br)s2)n1
InChIInChI=1S/C11H12BrN3S/c1-7-2-4-9(13)11(15-7)14-6-8-3-5-10(12)16-8/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyLCYLPYVEFOMXAS-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine, 2-((5-bromo-2-thenyl)(2-(dimethylamino)ethyl)amino)-, monohydrochloride
CID 201313
1-(6-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 84587964
1-[2-(5-Bromo-2-thienyl)ethyl]-3-(2-pyridyl)thiourea
CID 3003356
5-Bromo-6-(2-thienyl)-2-pyrazinamine
CID 59457654
N-(1-thiophen-2-ylethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61778092
N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61778731
1-(5-Bromo-2-pyridyl)-3-[2-(5-bromo-2-thienyl)ethyl]thiourea
CID 3003357
1-[2-(5-Bromo-2-thienyl)ethyl]-3-(6-methyl-2-pyridyl)thiourea
CID 3003358
1-[2-(5-Bromo-2-thienyl)ethyl]-3-(4,6-dimethyl-2-pyridyl)thiourea
CID 3003359
(3-Amino(2-pyridyl))(2-thienylmethyl)amine
CID 13769641
N-[(5-bromothiophen-2-yl)methyl]-N,N'-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 201314
6-fluoro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 61228985

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine (CID 81132228) is 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine is Cc1ccc(N)c(NCc2ccc(Br)s2)n1.
What is the InChIKey of 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine?
The InChIKey is LCYLPYVEFOMXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7-2-4-9(13)11(15-7)14-6-8-3-5-10(12)16-8/h2-5H,6,13H2,1H3,(H,14,15).
What are the key properties of 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine?
2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine has a molecular weight of 298.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 81132228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).