3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C14H17BrN2S — CID 105367794

IUPAC3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCc1cnc(N(Cc2cccs2)C(C)C)c(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-10(2)17(9-12-5-4-6-18-12)14-13(15)7-11(3)8-16-14/h4-8,10H,9H2,1-3H3
InChIKeyQEUDHFGUAUKGQF-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.63
Rot. Bonds4

About 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine

3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 105367794) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID105367794
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCc1cnc(N(Cc2cccs2)C(C)C)c(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-10(2)17(9-12-5-4-6-18-12)14-13(15)7-11(3)8-16-14/h4-8,10H,9H2,1-3H3
InChIKeyQEUDHFGUAUKGQF-UHFFFAOYSA-N
XLogP4.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyridine-2,3-diamine
CID 54946602
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80895899
5-bromo-2-N-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809500
4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
5-amino-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyridine-3-carboxamide
CID 61453095
3-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrazine-2-carbothioamide
CID 62684451
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
5-fluoro-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808330
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 105368298
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
4-(aminomethyl)-3-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107274799

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 105367794) is 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine is Cc1cnc(N(Cc2cccs2)C(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is QEUDHFGUAUKGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-10(2)17(9-12-5-4-6-18-12)14-13(15)7-11(3)8-16-14/h4-8,10H,9H2,1-3H3.
What are the key properties of 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 325.28 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 105367794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).