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

C12H14BrN5OS — CID 80890265

IUPAC4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C12H14BrN5OS/c1-7(2)19-11-16-10(14-3)17-12(18-11)20-9-5-4-8(13)6-15-9/h4-7H,1-3H3,(H,14,16,17,18)
InChIKeyQZJONZWDNAKFHF-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.01
Rot. Bonds5

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

4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80890265) has the molecular formula C12H14BrN5OS and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80890265
Molecular FormulaC12H14BrN5OS
Molecular Weight356.25 g/mol
Exact Mass355.01
IUPAC Name4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(Sc2ccc(Br)cn2)n1
InChIInChI=1S/C12H14BrN5OS/c1-7(2)19-11-16-10(14-3)17-12(18-11)20-9-5-4-8(13)6-15-9/h4-7H,1-3H3,(H,14,16,17,18)
InChIKeyQZJONZWDNAKFHF-UHFFFAOYSA-N
XLogP3.01
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80890887
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
N-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106928501
4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871301
4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
CID 80882220
4-(2-bromophenyl)sulfanyl-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80872353
4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80889092
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890838
(4-phenylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80923978
4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80771725
2-N-(3-bromo-4-methylphenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814615
2-N-(2-bromo-4-chlorophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 81256501

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80890265) is 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(Sc2ccc(Br)cn2)n1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is QZJONZWDNAKFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5OS/c1-7(2)19-11-16-10(14-3)17-12(18-11)20-9-5-4-8(13)6-15-9/h4-7H,1-3H3,(H,14,16,17,18).
What are the key properties of 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 356.25 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)sulfanyl]-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80890265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).