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

C16H18N8O2S — CID 59548449

IUPACN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(C)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C16H18N8O2S/c1-9-13(24-27(3,25)26)7-11(8-19-9)22-14-12(5-4-6-18-14)15-20-10(2)21-16(17)23-15/h4-8,24H,1-3H3,(H,18,22)(H2,17,20,21,23)
InChIKeySMFABTNYZYNSJL-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.64
Rot. Bonds5

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

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide (PubChem CID 59548449) has the molecular formula C16H18N8O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide
PubChem CID59548449
Molecular FormulaC16H18N8O2S
Molecular Weight386.44 g/mol
Exact Mass386.13
IUPAC NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(C)c(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C16H18N8O2S/c1-9-13(24-27(3,25)26)7-11(8-19-9)22-14-12(5-4-6-18-14)15-20-10(2)21-16(17)23-15/h4-8,24H,1-3H3,(H,18,22)(H2,17,20,21,23)
InChIKeySMFABTNYZYNSJL-UHFFFAOYSA-N
XLogP1.64
TPSA148.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.64
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)-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)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide (CID 59548449) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-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)-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)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide is Cc1nc(N)nc(-c2cccnc2Nc2cnc(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)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide?
The InChIKey is SMFABTNYZYNSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2S/c1-9-13(24-27(3,25)26)7-11(8-19-9)22-14-12(5-4-6-18-14)15-20-10(2)21-16(17)23-15/h4-8,24H,1-3H3,(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-methyl-3-pyridinyl]methanesulfonamide?
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-methyl-3-pyridinyl]methanesulfonamide has a molecular weight of 386.44 g/mol, XLogP of 1.64, 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-methyl-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 59548449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).