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

C21H27N9O4S — CID 59548439

IUPACN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H27N9O4S/c1-13-25-19(28-21(22)26-13)16-8-14(12-30-4-6-34-7-5-30)10-23-18(16)27-15-9-17(29-35(3,31)32)20(33-2)24-11-15/h8-11,29H,4-7,12H2,1-3H3,(H,23,27)(H2,22,25,26,28)
InChIKeyCRLUOVZIARBIMV-UHFFFAOYSA-N
MW501.57 g/mol
LogP1.18
Rot. Bonds8

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

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 59548439) has the molecular formula C21H27N9O4S and a molecular weight of 501.57 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID59548439
Molecular FormulaC21H27N9O4S
Molecular Weight501.57 g/mol
Exact Mass501.19
IUPAC NameN-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O
InChIInChI=1S/C21H27N9O4S/c1-13-25-19(28-21(22)26-13)16-8-14(12-30-4-6-34-7-5-30)10-23-18(16)27-15-9-17(29-35(3,31)32)20(33-2)24-11-15/h8-11,29H,4-7,12H2,1-3H3,(H,23,27)(H2,22,25,26,28)
InChIKeyCRLUOVZIARBIMV-UHFFFAOYSA-N
XLogP1.18
TPSA170.37 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.57
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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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-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 59548439) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(Nc2ncc(CN3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is CRLUOVZIARBIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N9O4S/c1-13-25-19(28-21(22)26-13)16-8-14(12-30-4-6-34-7-5-30)10-23-18(16)27-15-9-17(29-35(3,31)32)20(33-2)24-11-15/h8-11,29H,4-7,12H2,1-3H3,(H,23,27)(H2,22,25,26,28).
What are the key properties of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 501.57 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 12 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-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 59548439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).