3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide

C10H19N5O2S — CID 80934884

IUPAC3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
SMILESCCc1nc(NC)cc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C10H19N5O2S/c1-3-8-14-9(12-2)7-10(15-8)13-5-4-6-18(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyMTJHUPHBVARSNR-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.17
Rot. Bonds7

About 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide

3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide (PubChem CID 80934884) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
PubChem CID80934884
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
SMILESCCc1nc(NC)cc(NCCCS(N)(=O)=O)n1
InChIInChI=1S/C10H19N5O2S/c1-3-8-14-9(12-2)7-10(15-8)13-5-4-6-18(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H2,12,13,14,15)
InChIKeyMTJHUPHBVARSNR-UHFFFAOYSA-N
XLogP0.17
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332284
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80903168
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
CID 83118223
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
N-ethyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343405

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide (CID 80934884) is 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide is CCc1nc(NC)cc(NCCCS(N)(=O)=O)n1.
What is the InChIKey of 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide?
The InChIKey is MTJHUPHBVARSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-3-8-14-9(12-2)7-10(15-8)13-5-4-6-18(11,16)17/h7H,3-6H2,1-2H3,(H2,11,16,17)(H2,12,13,14,15).
What are the key properties of 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide?
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide is sourced from PubChem (CID 80934884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).