4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine

C9H6BrClN4S — CID 80890706

IUPAC4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine
SMILESNc1ncc(Cl)c(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C9H6BrClN4S/c10-5-1-2-7(13-3-5)16-8-6(11)4-14-9(12)15-8/h1-4H,(H2,12,14,15)
InChIKeyDXVIERFASKBXGK-UHFFFAOYSA-N
MW317.60 g/mol
LogP3.02
Rot. Bonds2

About 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine

4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine (PubChem CID 80890706) has the molecular formula C9H6BrClN4S and a molecular weight of 317.60 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine
PubChem CID80890706
Molecular FormulaC9H6BrClN4S
Molecular Weight317.60 g/mol
Exact Mass315.92
IUPAC Name4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine
SMILESNc1ncc(Cl)c(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C9H6BrClN4S/c10-5-1-2-7(13-3-5)16-8-6(11)4-14-9(12)15-8/h1-4H,(H2,12,14,15)
InChIKeyDXVIERFASKBXGK-UHFFFAOYSA-N
XLogP3.02
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine
CID 79075487
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884713
5-amino-6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-2-carboxamide
CID 114409719
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484
5-bromo-4-(4-bromophenyl)sulfanylpyrimidin-2-amine
CID 80893259
S-(5-bromo-2-pyridinyl)thiohydroxylamine
CID 177140372
5-chloro-4-ethylsulfanylpyrimidin-2-amine
CID 80888466
5-bromo-4-(4-chlorophenyl)sulfanylpyrimidin-2-amine
CID 80887194
4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 62112804
2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
CID 83270139
4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 80890982
4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80890887

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine (CID 80890706) is 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine is Nc1ncc(Cl)c(Sc2ccc(Br)cn2)n1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine?
The InChIKey is DXVIERFASKBXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4S/c10-5-1-2-7(13-3-5)16-8-6(11)4-14-9(12)15-8/h1-4H,(H2,12,14,15).
What are the key properties of 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine?
4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine has a molecular weight of 317.60 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine is sourced from PubChem (CID 80890706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).