2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide

C8H15N5O2S — CID 80788132

IUPAC2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNc1nccc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H15N5O2S/c1-2-10-8-12-4-3-7(13-8)11-5-6-16(9,14)15/h3-4H,2,5-6H2,1H3,(H2,9,14,15)(H2,10,11,12,13)
InChIKeyFGDMLGOLDGLFOF-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.39
Rot. Bonds6

About 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide

2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide (PubChem CID 80788132) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
PubChem CID80788132
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide
SMILESCCNc1nccc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H15N5O2S/c1-2-10-8-12-4-3-7(13-8)11-5-6-16(9,14)15/h3-4H,2,5-6H2,1H3,(H2,9,14,15)(H2,10,11,12,13)
InChIKeyFGDMLGOLDGLFOF-UHFFFAOYSA-N
XLogP-0.39
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(ethylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80787480
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
2-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-2,4-diamine
CID 80790250
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80833263
2-[(5-amino-6-ethoxy-2-pyridinyl)amino]ethanesulfonamide
CID 43551624
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855731
3-[(2-chloropyrimidin-4-yl)amino]propane-1-sulfonamide
CID 62342869
2-N-ethyl-4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80830333
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide (CID 80788132) is 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide is CCNc1nccc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
The InChIKey is FGDMLGOLDGLFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-2-10-8-12-4-3-7(13-8)11-5-6-16(9,14)15/h3-4H,2,5-6H2,1H3,(H2,9,14,15)(H2,10,11,12,13).
What are the key properties of 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide?
2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide has a molecular weight of 245.31 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)pyrimidin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 80788132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).