6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

C11H11BrN4S2 — CID 80890882

IUPAC6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2ncccc2Br)nc(SC)n1
InChIInChI=1S/C11H11BrN4S2/c1-13-8-6-9(16-11(15-8)17-2)18-10-7(12)4-3-5-14-10/h3-6H,1-2H3,(H,13,15,16)
InChIKeyBHMVLWDIJGHVDC-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.55
Rot. Bonds4

About 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80890882) has the molecular formula C11H11BrN4S2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80890882
Molecular FormulaC11H11BrN4S2
Molecular Weight343.28 g/mol
Exact Mass341.96
IUPAC Name6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2ncccc2Br)nc(SC)n1
InChIInChI=1S/C11H11BrN4S2/c1-13-8-6-9(16-11(15-8)17-2)18-10-7(12)4-3-5-14-10/h3-6H,1-2H3,(H,13,15,16)
InChIKeyBHMVLWDIJGHVDC-UHFFFAOYSA-N
XLogP3.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine 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-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
CID 80890614
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80980403
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891150
6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80946945
4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 107604420
6-(2-methoxyphenyl)sulfanyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80886236
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
CID 163333008
N-methyl-2-methylsulfanyl-6-propylsulfanylpyrimidin-4-amine
CID 80888612
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine
CID 80890787
N-methyl-2-methylsulfanyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886547
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887907

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80890882) is 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(Sc2ncccc2Br)nc(SC)n1.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is BHMVLWDIJGHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4S2/c1-13-8-6-9(16-11(15-8)17-2)18-10-7(12)4-3-5-14-10/h3-6H,1-2H3,(H,13,15,16).
What are the key properties of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 343.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80890882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).