N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide

C10H16N4O2S — CID 167829406

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C10H16N4O2S/c1-5-17(15,16)11-7-9-6-8(2)12-10(13-9)14(3)4/h5-6,11H,1,7H2,2-4H3
InChIKeyGLPNMWKMMOFJPV-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.41
Rot. Bonds5

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide (PubChem CID 167829406) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
PubChem CID167829406
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C10H16N4O2S/c1-5-17(15,16)11-7-9-6-8(2)12-10(13-9)14(3)4/h5-6,11H,1,7H2,2-4H3
InChIKeyGLPNMWKMMOFJPV-UHFFFAOYSA-N
XLogP0.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide (CID 167829406) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NCc1cc(C)nc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide?
The InChIKey is GLPNMWKMMOFJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-5-17(15,16)11-7-9-6-8(2)12-10(13-9)14(3)4/h5-6,11H,1,7H2,2-4H3.
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 167829406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).