5-ethylsulfonylpyrimidin-4-amine;hydrochloride

C6H10ClN3O2S — CID 86775574

IUPAC5-ethylsulfonylpyrimidin-4-amine;hydrochloride
SMILESCCS(=O)(=O)c1cncnc1N.Cl
InChIInChI=1S/C6H9N3O2S.ClH/c1-2-12(10,11)5-3-8-4-9-6(5)7;/h3-4H,2H2,1H3,(H2,7,8,9);1H
InChIKeyNFZZCIKAVASIJS-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.27
Rot. Bonds2

About 5-ethylsulfonylpyrimidin-4-amine;hydrochloride

5-ethylsulfonylpyrimidin-4-amine;hydrochloride (PubChem CID 86775574) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.68 g/mol. Its IUPAC name is 5-ethylsulfonylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-ethylsulfonylpyrimidin-4-amine;hydrochloride
PubChem CID86775574
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.68 g/mol
Exact Mass223.02
IUPAC Name5-ethylsulfonylpyrimidin-4-amine;hydrochloride
SMILESCCS(=O)(=O)c1cncnc1N.Cl
InChIInChI=1S/C6H9N3O2S.ClH/c1-2-12(10,11)5-3-8-4-9-6(5)7;/h3-4H,2H2,1H3,(H2,7,8,9);1H
InChIKeyNFZZCIKAVASIJS-UHFFFAOYSA-N
XLogP0.27
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-ethylsulfonylpyrimidin-4-amine;hydrochloride (CID 86775574) is 5-ethylsulfonylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-ethylsulfonylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-ethylsulfonylpyrimidin-4-amine;hydrochloride is CCS(=O)(=O)c1cncnc1N.Cl.
What is the InChIKey of 5-ethylsulfonylpyrimidin-4-amine;hydrochloride?
The InChIKey is NFZZCIKAVASIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S.ClH/c1-2-12(10,11)5-3-8-4-9-6(5)7;/h3-4H,2H2,1H3,(H2,7,8,9);1H.
What are the key properties of 5-ethylsulfonylpyrimidin-4-amine;hydrochloride?
5-ethylsulfonylpyrimidin-4-amine;hydrochloride has a molecular weight of 223.68 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 86775574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).