N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide

C15H21N5O2S — CID 56785538

IUPACN-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCc1cc(NCCCNS(C)(=O)=O)nc(-c2ccccn2)n1
InChIInChI=1S/C15H21N5O2S/c1-3-12-11-14(17-9-6-10-18-23(2,21)22)20-15(19-12)13-7-4-5-8-16-13/h4-5,7-8,11,18H,3,6,9-10H2,1-2H3,(H,17,19,20)
InChIKeyOXQUCCFERXBWFD-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.45
Rot. Bonds8

About N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide

N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 56785538) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID56785538
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCc1cc(NCCCNS(C)(=O)=O)nc(-c2ccccn2)n1
InChIInChI=1S/C15H21N5O2S/c1-3-12-11-14(17-9-6-10-18-23(2,21)22)20-15(19-12)13-7-4-5-8-16-13/h4-5,7-8,11,18H,3,6,9-10H2,1-2H3,(H,17,19,20)
InChIKeyOXQUCCFERXBWFD-UHFFFAOYSA-N
XLogP1.45
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 56785538) is N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide is CCc1cc(NCCCNS(C)(=O)=O)nc(-c2ccccn2)n1.
What is the InChIKey of N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is OXQUCCFERXBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-12-11-14(17-9-6-10-18-23(2,21)22)20-15(19-12)13-7-4-5-8-16-13/h4-5,7-8,11,18H,3,6,9-10H2,1-2H3,(H,17,19,20).
What are the key properties of N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 56785538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).