5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine

C11H10BrClN4S — CID 80890895

IUPAC5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Sc2ccc(Cl)cn2)n1
InChIInChI=1S/C11H10BrClN4S/c1-2-14-11-16-6-8(12)10(17-11)18-9-4-3-7(13)5-15-9/h3-6H,2H2,1H3,(H,14,16,17)
InChIKeyPJVIWKSJZUMGLO-UHFFFAOYSA-N
MW345.65 g/mol
LogP3.87
Rot. Bonds4

About 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine

5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine (PubChem CID 80890895) has the molecular formula C11H10BrClN4S and a molecular weight of 345.65 g/mol. Its IUPAC name is 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
PubChem CID80890895
Molecular FormulaC11H10BrClN4S
Molecular Weight345.65 g/mol
Exact Mass343.95
IUPAC Name5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(Sc2ccc(Cl)cn2)n1
InChIInChI=1S/C11H10BrClN4S/c1-2-14-11-16-6-8(12)10(17-11)18-9-4-3-7(13)5-15-9/h3-6H,2H2,1H3,(H,14,16,17)
InChIKeyPJVIWKSJZUMGLO-UHFFFAOYSA-N
XLogP3.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine
CID 80890456
5-bromo-N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882339
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-N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80892183
5-bromo-N-ethyl-4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80890425
5-bromo-4-[(4-chlorophenyl)methylsulfanyl]-N-propylpyrimidin-2-amine
CID 114793039
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
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80994859
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80890451
6-[(5-chloro-2-pyridinyl)sulfanyl]-N,2-diethylpyrimidin-4-amine
CID 80936963

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine (CID 80890895) is 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine is CCNc1ncc(Br)c(Sc2ccc(Cl)cn2)n1.
What is the InChIKey of 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine?
The InChIKey is PJVIWKSJZUMGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4S/c1-2-14-11-16-6-8(12)10(17-11)18-9-4-3-7(13)5-15-9/h3-6H,2H2,1H3,(H,14,16,17).
What are the key properties of 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine?
5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine has a molecular weight of 345.65 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80890895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).