5-tert-butylsulfonylpyrimidine-2,4-diamine

C8H14N4O2S — CID 2778671

IUPAC5-tert-butylsulfonylpyrimidine-2,4-diamine
SMILESCC(C)(C)S(=O)(=O)c1cnc(N)nc1N
InChIInChI=1S/C8H14N4O2S/c1-8(2,3)15(13,14)5-4-11-7(10)12-6(5)9/h4H,1-3H3,(H4,9,10,11,12)
InChIKeyOJZIKVJYVVQUDG-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.21
Rot. Bonds1

About 5-tert-butylsulfonylpyrimidine-2,4-diamine

5-tert-butylsulfonylpyrimidine-2,4-diamine (PubChem CID 2778671) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-tert-butylsulfonylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-tert-butylsulfonylpyrimidine-2,4-diamine
PubChem CID2778671
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name5-tert-butylsulfonylpyrimidine-2,4-diamine
SMILESCC(C)(C)S(=O)(=O)c1cnc(N)nc1N
InChIInChI=1S/C8H14N4O2S/c1-8(2,3)15(13,14)5-4-11-7(10)12-6(5)9/h4H,1-3H3,(H4,9,10,11,12)
InChIKeyOJZIKVJYVVQUDG-UHFFFAOYSA-N
XLogP0.21
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonylpyrimidine-2,4-diamine?
The IUPAC name of 5-tert-butylsulfonylpyrimidine-2,4-diamine (CID 2778671) is 5-tert-butylsulfonylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-tert-butylsulfonylpyrimidine-2,4-diamine?
The canonical SMILES for 5-tert-butylsulfonylpyrimidine-2,4-diamine is CC(C)(C)S(=O)(=O)c1cnc(N)nc1N.
What is the InChIKey of 5-tert-butylsulfonylpyrimidine-2,4-diamine?
The InChIKey is OJZIKVJYVVQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-8(2,3)15(13,14)5-4-11-7(10)12-6(5)9/h4H,1-3H3,(H4,9,10,11,12).
What are the key properties of 5-tert-butylsulfonylpyrimidine-2,4-diamine?
5-tert-butylsulfonylpyrimidine-2,4-diamine has a molecular weight of 230.29 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonylpyrimidine-2,4-diamine is sourced from PubChem (CID 2778671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).