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

C16H17ClN8O2S — CID 59548192

IUPACN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(C)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C16H17ClN8O2S/c1-8-13(25-28(3,26)27)5-11(7-19-8)23-14-12(4-10(17)6-20-14)15-21-9(2)22-16(18)24-15/h4-7,25H,1-3H3,(H,20,23)(H2,18,21,22,24)
InChIKeyRBXKFGUMEZSADC-UHFFFAOYSA-N
MW420.89 g/mol
LogP2.30
Rot. Bonds5

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

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide (PubChem CID 59548192) has the molecular formula C16H17ClN8O2S and a molecular weight of 420.89 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide
PubChem CID59548192
Molecular FormulaC16H17ClN8O2S
Molecular Weight420.89 g/mol
Exact Mass420.09
IUPAC NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(C)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C16H17ClN8O2S/c1-8-13(25-28(3,26)27)5-11(7-19-8)23-14-12(4-10(17)6-20-14)15-21-9(2)22-16(18)24-15/h4-7,25H,1-3H3,(H,20,23)(H2,18,21,22,24)
InChIKeyRBXKFGUMEZSADC-UHFFFAOYSA-N
XLogP2.30
TPSA148.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide (CID 59548192) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide is Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(C)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)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide?
The InChIKey is RBXKFGUMEZSADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN8O2S/c1-8-13(25-28(3,26)27)5-11(7-19-8)23-14-12(4-10(17)6-20-14)15-21-9(2)22-16(18)24-15/h4-7,25H,1-3H3,(H,20,23)(H2,18,21,22,24).
What are the key properties of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide?
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide has a molecular weight of 420.89 g/mol, XLogP of 2.30, 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)-5-chloro-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 59548192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).