N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide

C15H15ClN8O2S — CID 71454238

IUPACN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H15ClN8O2S/c1-8-20-14(23-15(17)21-8)10-4-3-5-18-13(10)22-9-6-11(12(16)19-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,18,22)(H2,17,20,21,23)
InChIKeyMYQDIPJMQYEWIZ-UHFFFAOYSA-N
MW406.86 g/mol
LogP1.99
Rot. Bonds5

About N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide (PubChem CID 71454238) has the molecular formula C15H15ClN8O2S and a molecular weight of 406.86 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
PubChem CID71454238
Molecular FormulaC15H15ClN8O2S
Molecular Weight406.86 g/mol
Exact Mass406.07
IUPAC NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C15H15ClN8O2S/c1-8-20-14(23-15(17)21-8)10-4-3-5-18-13(10)22-9-6-11(12(16)19-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,18,22)(H2,17,20,21,23)
InChIKeyMYQDIPJMQYEWIZ-UHFFFAOYSA-N
XLogP1.99
TPSA148.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.86
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-(3-Chloro-4-(((2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide
CID 91826086
N-(5-{[3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-5-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]amino}-2-Chloropyridin-3-Yl)methanesulfonamide
CID 49785344
N'-(5-((3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl)amino)-2-chloro-3-pyridinyl)-N,N-dimethylsulfamide
CID 59548288
6-chloro-N~4~-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 1861859
4-Methyl-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-3-yl]-1,3,5-triazin-2-amine
CID 49785166
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-5-chloropyridin-2-ylamino)-2-methylpyridin-3-YL)methanesulfonamide
CID 59548192
N'-(5-((3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(4-morpholinylmethyl)-2-pyridinyl)amino)-2-chloro-3-pyridinyl)-N,N-dimethylsulfamide
CID 59548260
N5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-YL)-2-chloropyridine-3,5-diamine
CID 59548308
4-(2-(2-Methoxypyrimidin-5-ylamino)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine
CID 59548316
2-Amino-4-[2-[[6-chloro-5-[[methyl(propan-2-yl)sulfamoyl]amino]-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine
CID 59548353
4-[2-[(5-Fluoro-3-pyridinyl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548355
N-(5-(3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholinomethyl)pyridin-2-ylamino)-2-chloropyridin-3-yl)methanesulfonamide
CID 59548408

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide (CID 71454238) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide is Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
The InChIKey is MYQDIPJMQYEWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN8O2S/c1-8-20-14(23-15(17)21-8)10-4-3-5-18-13(10)22-9-6-11(12(16)19-7-9)24-27(2,25)26/h3-7,24H,1-2H3,(H,18,22)(H2,17,20,21,23).
What are the key properties of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide?
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide has a molecular weight of 406.86 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 71454238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).