2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide

C10H19N5O2S — CID 80967068

IUPAC2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCC(C)(C)c1nc(N)cc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C10H19N5O2S/c1-10(2,3)9-14-7(11)6-8(15-9)13-4-5-18(12,16)17/h6H,4-5H2,1-3H3,(H2,12,16,17)(H3,11,13,14,15)
InChIKeyFJFXQGOQLOHORX-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.06
Rot. Bonds4

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

2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 80967068) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID80967068
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCC(C)(C)c1nc(N)cc(NCCS(N)(=O)=O)n1
InChIInChI=1S/C10H19N5O2S/c1-10(2,3)9-14-7(11)6-8(15-9)13-4-5-18(12,16)17/h6H,4-5H2,1-3H3,(H2,12,16,17)(H3,11,13,14,15)
InChIKeyFJFXQGOQLOHORX-UHFFFAOYSA-N
XLogP0.06
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106343345
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80934040
2-tert-butyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80967129
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]acetamide
CID 80956992
2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
CID 115409403
2-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80791666
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343155
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
2-tert-butyl-4-N-[2-(dimethylamino)-2-methylpropyl]pyrimidine-4,6-diamine
CID 80961925
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide (CID 80967068) is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide is CC(C)(C)c1nc(N)cc(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is FJFXQGOQLOHORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-10(2,3)9-14-7(11)6-8(15-9)13-4-5-18(12,16)17/h6H,4-5H2,1-3H3,(H2,12,16,17)(H3,11,13,14,15).
What are the key properties of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide?
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.06, 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-tert-butylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 80967068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).