4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine

C8H13ClN4S — CID 80887039

IUPAC4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(SC(C)(C)C)n1
InChIInChI=1S/C8H13ClN4S/c1-8(2,3)14-7-12-5(9)11-6(10-4)13-7/h1-4H3,(H,10,11,12,13)
InChIKeyDMBAVSAQADILMT-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.46
Rot. Bonds2

About 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine

4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80887039) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
PubChem CID80887039
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(SC(C)(C)C)n1
InChIInChI=1S/C8H13ClN4S/c1-8(2,3)14-7-12-5(9)11-6(10-4)13-7/h1-4H3,(H,10,11,12,13)
InChIKeyDMBAVSAQADILMT-UHFFFAOYSA-N
XLogP2.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80888350
4-chloro-N-methyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765701
4-chloro-N-methyl-6-octylsulfanyl-1,3,5-triazin-2-amine
CID 167281206
4-chloro-N-methyl-6-methylsulfanyl-1,3,5-triazin-2-amine;2-N,4-N-dimethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine;methanamine;methane;methanethiol;2,4,6-trichloro-1,3,5-triazine
CID 162104486
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 114235169
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009564
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
CID 80884082
4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
CID 80882220
4-[(5-bromo-2-pyridinyl)sulfanyl]-6-chloro-N-methyl-1,3,5-triazin-2-amine
CID 80890887
(4-amino-6-chloro-1,3,5-triazin-2-yl) 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 21303862
6-chloro-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 119092780
6-chloro-2-N-(2-cyclopropylethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80847833

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine (CID 80887039) is 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(SC(C)(C)C)n1.
What is the InChIKey of 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is DMBAVSAQADILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c1-8(2,3)14-7-12-5(9)11-6(10-4)13-7/h1-4H3,(H,10,11,12,13).
What are the key properties of 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine?
4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 232.74 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-6-chloro-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).