2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide

C8H14N4O3S — CID 107605614

IUPAC2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)CCN)n1
InChIInChI=1S/C8H14N4O3S/c1-6-5-7(15-2)11-8(10-6)12-16(13,14)4-3-9/h5H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyPHAVUWPUPGFZMP-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.51
Rot. Bonds5

About 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide

2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide (PubChem CID 107605614) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
PubChem CID107605614
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)CCN)n1
InChIInChI=1S/C8H14N4O3S/c1-6-5-7(15-2)11-8(10-6)12-16(13,14)4-3-9/h5H,3-4,9H2,1-2H3,(H,10,11,12)
InChIKeyPHAVUWPUPGFZMP-UHFFFAOYSA-N
XLogP-0.51
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681
4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1-sulfonamide
CID 107602665
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106089355
methyl 4-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanoate
CID 107605578
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465
2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
CID 106089332
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
2-[(4-methoxy-6-methylpyrimidin-2-yl)sulfamoyl]butanethioamide
CID 107600498

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide (CID 107605614) is 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide is COc1cc(C)nc(NS(=O)(=O)CCN)n1.
What is the InChIKey of 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide?
The InChIKey is PHAVUWPUPGFZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-6-5-7(15-2)11-8(10-6)12-16(13,14)4-3-9/h5H,3-4,9H2,1-2H3,(H,10,11,12).
What are the key properties of 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide?
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide is sourced from PubChem (CID 107605614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).