4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine

C17H17N5O3S — CID 66576434

IUPAC4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ncccc1-c1ncnc(Nc2cccc(CS(C)(=O)=O)c2)n1
InChIInChI=1S/C17H17N5O3S/c1-25-16-14(7-4-8-18-16)15-19-11-20-17(22-15)21-13-6-3-5-12(9-13)10-26(2,23)24/h3-9,11H,10H2,1-2H3,(H,19,20,21,22)
InChIKeyJYEKXJHBNRYETC-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.23
Rot. Bonds6

About 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine

4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 66576434) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID66576434
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ncccc1-c1ncnc(Nc2cccc(CS(C)(=O)=O)c2)n1
InChIInChI=1S/C17H17N5O3S/c1-25-16-14(7-4-8-18-16)15-19-11-20-17(22-15)21-13-6-3-5-12(9-13)10-26(2,23)24/h3-9,11H,10H2,1-2H3,(H,19,20,21,22)
InChIKeyJYEKXJHBNRYETC-UHFFFAOYSA-N
XLogP2.23
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-fluoro-2-(pyridin-4-ylmethoxy)phenyl]-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576135
4-(2-but-2-ynoxy-4-fluorophenyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66575734
[3-[[4-[2-(methoxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 53492133
4-[4-fluoro-2-[1-(4-fluorophenyl)ethoxy]phenyl]-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 77146837
4-[4-fluoro-2-[(2,4,5-trifluorophenyl)methoxy]phenyl]-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66575973
[3-[[4-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methanesulfonamide
CID 53491929
4-(4-fluoro-2-methoxyphenyl)-N-[3-fluoro-5-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576285
4-(4-fluoro-2-methoxyphenyl)-N-[3-(propan-2-ylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66576515
N-[3-(tert-butylsulfonylmethyl)phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 66576431
N-[3-[(amino-methylidene-oxo-λ6-sulfanyl)methyl]phenyl]-4-(4-fluoro-2-methoxyphenyl)-1,3,5-triazin-2-amine
CID 163635741
4-[2-(2-cyclohexylethoxy)-4-fluorophenyl]-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 66575735
4-(4-fluoro-2-phenylmethoxyphenyl)-N-[3-[(methylsulfonimidoyl)methyl]phenyl]-1,3,5-triazin-2-amine
CID 71618282

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine (CID 66576434) is 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine is COc1ncccc1-c1ncnc(Nc2cccc(CS(C)(=O)=O)c2)n1.
What is the InChIKey of 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is JYEKXJHBNRYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-25-16-14(7-4-8-18-16)15-19-11-20-17(22-15)21-13-6-3-5-12(9-13)10-26(2,23)24/h3-9,11H,10H2,1-2H3,(H,19,20,21,22).
What are the key properties of 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine?
4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 371.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyridinyl)-N-[3-(methylsulfonylmethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 66576434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).