5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine

C11H11BrN4S — CID 80882339

IUPAC5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Sc2ccccn2)n1
InChIInChI=1S/C11H11BrN4S/c1-2-13-11-15-7-8(12)10(16-11)17-9-5-3-4-6-14-9/h3-7H,2H2,1H3,(H,13,15,16)
InChIKeyWLMZQCLBWPWWMC-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.22
Rot. Bonds4

About 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine

5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80882339) has the molecular formula C11H11BrN4S and a molecular weight of 311.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
PubChem CID80882339
Molecular FormulaC11H11BrN4S
Molecular Weight311.21 g/mol
Exact Mass309.99
IUPAC Name5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Sc2ccccn2)n1
InChIInChI=1S/C11H11BrN4S/c1-2-13-11-15-7-8(12)10(16-11)17-9-5-3-4-6-14-9/h3-7H,2H2,1H3,(H,13,15,16)
InChIKeyWLMZQCLBWPWWMC-UHFFFAOYSA-N
XLogP3.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890895
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
CID 80883177
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882665
5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80890425
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80890440
5-bromo-N-ethyl-4-(1H-imidazol-2-ylsulfanyl)pyrimidin-2-amine
CID 107784857
5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
CID 80889111
5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80781022
5-bromo-N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80892183
5-bromo-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882687
5-bromo-2-N-ethylpyrimidine-2,4-diamine
CID 80797744
5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine (CID 80882339) is 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine is CCNc1ncc(Br)c(Sc2ccccn2)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is WLMZQCLBWPWWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4S/c1-2-13-11-15-7-8(12)10(16-11)17-9-5-3-4-6-14-9/h3-7H,2H2,1H3,(H,13,15,16).
What are the key properties of 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine?
5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 311.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80882339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).