N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide

C9H17N5O2S — CID 64831444

IUPACN-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCN(C)c1nccc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C9H17N5O2S/c1-14(2)9-11-5-4-8(13-9)10-6-7-12-17(3,15)16/h4-5,12H,6-7H2,1-3H3,(H,10,11,13)
InChIKeyHQIUJVWPFQUEDD-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.50
Rot. Bonds6

About N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 64831444) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID64831444
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC NameN-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCN(C)c1nccc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C9H17N5O2S/c1-14(2)9-11-5-4-8(13-9)10-6-7-12-17(3,15)16/h4-5,12H,6-7H2,1-3H3,(H,10,11,13)
InChIKeyHQIUJVWPFQUEDD-UHFFFAOYSA-N
XLogP-0.50
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.50
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-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (CID 64831444) is N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is CN(C)c1nccc(NCCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is HQIUJVWPFQUEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-14(2)9-11-5-4-8(13-9)10-6-7-12-17(3,15)16/h4-5,12H,6-7H2,1-3H3,(H,10,11,13).
What are the key properties of N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 64831444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).