5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine

C12H20BrN3S — CID 144889480

IUPAC5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine
SMILESCc1c(Br)cnc(N(C)C)c1SNC(C)(C)C
InChIInChI=1S/C12H20BrN3S/c1-8-9(13)7-14-11(16(5)6)10(8)17-15-12(2,3)4/h7,15H,1-6H3
InChIKeyGOBRLHRYBIIMIH-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.61
Rot. Bonds3

About 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine

5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine (PubChem CID 144889480) has the molecular formula C12H20BrN3S and a molecular weight of 318.28 g/mol. Its IUPAC name is 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine
PubChem CID144889480
Molecular FormulaC12H20BrN3S
Molecular Weight318.28 g/mol
Exact Mass317.06
IUPAC Name5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine
SMILESCc1c(Br)cnc(N(C)C)c1SNC(C)(C)C
InChIInChI=1S/C12H20BrN3S/c1-8-9(13)7-14-11(16(5)6)10(8)17-15-12(2,3)4/h7,15H,1-6H3
InChIKeyGOBRLHRYBIIMIH-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide
CID 118298898
3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine
CID 155980084
5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine
CID 118238019
3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 22000225
5-bromo-N-tert-butyl-N,2-dimethylpyrimidin-4-amine
CID 130654167
7-bromo-8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 135343188
N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 146258283
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
2-(5-bromo-3-chloro-4-methyl-2-pyridinyl)propan-2-ol
CID 71114982
5-bromo-N-tert-butyl-N,3-dimethylpyridin-2-amine
CID 115148475
5-bromo-3,4-dimethylpyridin-2-amine;ethane
CID 145431930
N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 170732232

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine (CID 144889480) is 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine is Cc1c(Br)cnc(N(C)C)c1SNC(C)(C)C.
What is the InChIKey of 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine?
The InChIKey is GOBRLHRYBIIMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3S/c1-8-9(13)7-14-11(16(5)6)10(8)17-15-12(2,3)4/h7,15H,1-6H3.
What are the key properties of 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine?
5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine has a molecular weight of 318.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine is sourced from PubChem (CID 144889480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).