4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine

C9H8ClN5O2S — CID 86679830

IUPAC4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2ncnc(Cl)n2)cn1
InChIInChI=1S/C9H8ClN5O2S/c1-18(16,17)7-3-2-6(4-11-7)14-9-13-5-12-8(10)15-9/h2-5H,1H3,(H,12,13,14,15)
InChIKeySXHVBMBMYFUXBG-UHFFFAOYSA-N
MW285.72 g/mol
LogP1.07
Rot. Bonds3

About 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine

4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine (PubChem CID 86679830) has the molecular formula C9H8ClN5O2S and a molecular weight of 285.72 g/mol. Its IUPAC name is 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine
PubChem CID86679830
Molecular FormulaC9H8ClN5O2S
Molecular Weight285.72 g/mol
Exact Mass285.01
IUPAC Name4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)c1ccc(Nc2ncnc(Cl)n2)cn1
InChIInChI=1S/C9H8ClN5O2S/c1-18(16,17)7-3-2-6(4-11-7)14-9-13-5-12-8(10)15-9/h2-5H,1H3,(H,12,13,14,15)
InChIKeySXHVBMBMYFUXBG-UHFFFAOYSA-N
XLogP1.07
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 141275069
4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
CID 172686201
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid
CID 57022345
4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 47037064
N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675178
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
N-butan-2-yl-6-methylsulfonylpyridin-3-amine
CID 43675267
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,3-dihydroindole-1-sulfonamide
CID 86679829
N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
CID 43675220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine (CID 86679830) is 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine is CS(=O)(=O)c1ccc(Nc2ncnc(Cl)n2)cn1.
What is the InChIKey of 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine?
The InChIKey is SXHVBMBMYFUXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O2S/c1-18(16,17)7-3-2-6(4-11-7)14-9-13-5-12-8(10)15-9/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine?
4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine has a molecular weight of 285.72 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methylsulfonyl-3-pyridinyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 86679830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).