2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide

C8H15N5O2S — CID 80934040

IUPAC2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCc1nc(N)cc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H15N5O2S/c1-2-7-12-6(9)5-8(13-7)11-3-4-16(10,14)15/h5H,2-4H2,1H3,(H2,10,14,15)(H3,9,11,12,13)
InChIKeyYZAMLXAOUXNPJC-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.68
Rot. Bonds5

About 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide

2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 80934040) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID80934040
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCCc1nc(N)cc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H15N5O2S/c1-2-7-12-6(9)5-8(13-7)11-3-4-16(10,14)15/h5H,2-4H2,1H3,(H2,10,14,15)(H3,9,11,12,13)
InChIKeyYZAMLXAOUXNPJC-UHFFFAOYSA-N
XLogP-0.68
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
2-ethyl-4-N-(3-methylsulfonylpropyl)pyrimidine-4,6-diamine
CID 80934736
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80967068
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80934884
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
2-ethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80935114
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481504
2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114276539

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide (CID 80934040) is 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide is CCc1nc(N)cc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is YZAMLXAOUXNPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-2-7-12-6(9)5-8(13-7)11-3-4-16(10,14)15/h5H,2-4H2,1H3,(H2,10,14,15)(H3,9,11,12,13).
What are the key properties of 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide?
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 245.31 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 80934040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).