4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine

C9H7BrClN5S — CID 80890887

IUPAC4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C9H7BrClN5S/c1-12-8-14-7(11)15-9(16-8)17-6-3-2-5(10)4-13-6/h2-4H,1H3,(H,12,14,15,16)
InChIKeyUKODPYPACQPPCE-UHFFFAOYSA-N
MW332.61 g/mol
LogP2.88
Rot. Bonds3

About 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine

4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80890887) has the molecular formula C9H7BrClN5S and a molecular weight of 332.61 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine
PubChem CID80890887
Molecular FormulaC9H7BrClN5S
Molecular Weight332.61 g/mol
Exact Mass330.93
IUPAC Name4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C9H7BrClN5S/c1-12-8-14-7(11)15-9(16-8)17-6-3-2-5(10)4-13-6/h2-4H,1H3,(H,12,14,15,16)
InChIKeyUKODPYPACQPPCE-UHFFFAOYSA-N
XLogP2.88
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
CID 80882220
4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80890265
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
CID 80884082
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-chloro-5-fluoropyrimidine
CID 79075487
[4-[(5-bromo-2-pyridinyl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80928709
4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80887039
5-bromo-2-(4-methylphenyl)sulfanylpyridine
CID 55219804
6-chloro-2-N-(2,4-dibromophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800657
4-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloropyrimidin-2-amine
CID 80890706
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484
6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde
CID 80639451
(5-bromo-2-pyridinyl)sulfanyl-trimethylsilane
CID 101466629

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine (CID 80890887) is 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Sc2ccc(Br)cn2)n1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is UKODPYPACQPPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN5S/c1-12-8-14-7(11)15-9(16-8)17-6-3-2-5(10)4-13-6/h2-4H,1H3,(H,12,14,15,16).
What are the key properties of 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine?
4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 332.61 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80890887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).