2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide

C8H15N5O2S — CID 80787729

IUPAC2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1nc(N)c(C)c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H15N5O2S/c1-5-7(9)12-6(2)13-8(5)11-3-4-16(10,14)15/h3-4H2,1-2H3,(H2,10,14,15)(H3,9,11,12,13)
InChIKeyYCCRAKDBHYSWDK-UHFFFAOYSA-N
MW245.31 g/mol
LogP-0.62
Rot. Bonds4

About 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 80787729) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID80787729
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1nc(N)c(C)c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C8H15N5O2S/c1-5-7(9)12-6(2)13-8(5)11-3-4-16(10,14)15/h3-4H2,1-2H3,(H2,10,14,15)(H3,9,11,12,13)
InChIKeyYCCRAKDBHYSWDK-UHFFFAOYSA-N
XLogP-0.62
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791800
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80836327
6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 114009519
2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide
CID 131140623
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80817023
3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117234
N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine
CID 72939636
2-[(3-amino-6-methyl-2-pyridinyl)amino]ethanesulfonamide
CID 81132077
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343532
2,5-dimethyl-4-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-diamine
CID 80795260
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide (CID 80787729) is 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide is Cc1nc(N)c(C)c(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is YCCRAKDBHYSWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c1-5-7(9)12-6(2)13-8(5)11-3-4-16(10,14)15/h3-4H2,1-2H3,(H2,10,14,15)(H3,9,11,12,13).
What are the key properties of 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide?
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 245.31 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 80787729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).