N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide

C10H19N5O2S — CID 45497031

IUPACN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCc1nc(NCCNS(C)(=O)=O)cc(N(C)C)n1
InChIInChI=1S/C10H19N5O2S/c1-8-13-9(7-10(14-8)15(2)3)11-5-6-12-18(4,16)17/h7,12H,5-6H2,1-4H3,(H,11,13,14)
InChIKeyRLTVTGDPDJINHD-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.19
Rot. Bonds6

About N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 45497031) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID45497031
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCc1nc(NCCNS(C)(=O)=O)cc(N(C)C)n1
InChIInChI=1S/C10H19N5O2S/c1-8-13-9(7-10(14-8)15(2)3)11-5-6-12-18(4,16)17/h7,12H,5-6H2,1-4H3,(H,11,13,14)
InChIKeyRLTVTGDPDJINHD-UHFFFAOYSA-N
XLogP-0.19
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.19
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-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide (CID 45497031) is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide is Cc1nc(NCCNS(C)(=O)=O)cc(N(C)C)n1.
What is the InChIKey of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is RLTVTGDPDJINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8-13-9(7-10(14-8)15(2)3)11-5-6-12-18(4,16)17/h7,12H,5-6H2,1-4H3,(H,11,13,14).
What are the key properties of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 45497031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).