2-amino-N-tert-butylpyrimidine-5-sulfonamide

C8H14N4O2S — CID 62148276

IUPAC2-amino-N-tert-butylpyrimidine-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H14N4O2S/c1-8(2,3)12-15(13,14)6-4-10-7(9)11-5-6/h4-5,12H,1-3H3,(H2,9,10,11)
InChIKeyBNZKMHLBKJZTOF-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.14
Rot. Bonds2

About 2-amino-N-tert-butylpyrimidine-5-sulfonamide

2-amino-N-tert-butylpyrimidine-5-sulfonamide (PubChem CID 62148276) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-amino-N-tert-butylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-tert-butylpyrimidine-5-sulfonamide
PubChem CID62148276
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2-amino-N-tert-butylpyrimidine-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C8H14N4O2S/c1-8(2,3)12-15(13,14)6-4-10-7(9)11-5-6/h4-5,12H,1-3H3,(H2,9,10,11)
InChIKeyBNZKMHLBKJZTOF-UHFFFAOYSA-N
XLogP0.14
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butylpyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-tert-butylpyrimidine-5-sulfonamide (CID 62148276) is 2-amino-N-tert-butylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-tert-butylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-tert-butylpyrimidine-5-sulfonamide is CC(C)(C)NS(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-tert-butylpyrimidine-5-sulfonamide?
The InChIKey is BNZKMHLBKJZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-8(2,3)12-15(13,14)6-4-10-7(9)11-5-6/h4-5,12H,1-3H3,(H2,9,10,11).
What are the key properties of 2-amino-N-tert-butylpyrimidine-5-sulfonamide?
2-amino-N-tert-butylpyrimidine-5-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62148276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).