5-ethylsulfonylpyrimidin-4-amine

C6H9N3O2S — CID 66268601

IUPAC5-ethylsulfonylpyrimidin-4-amine
SMILESCCS(=O)(=O)c1cncnc1N
InChIInChI=1S/C6H9N3O2S/c1-2-12(10,11)5-3-8-4-9-6(5)7/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKeyDGUYGPVXCSIGKV-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.15
Rot. Bonds2

About 5-ethylsulfonylpyrimidin-4-amine

5-ethylsulfonylpyrimidin-4-amine (PubChem CID 66268601) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-ethylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethylsulfonylpyrimidin-4-amine
PubChem CID66268601
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name5-ethylsulfonylpyrimidin-4-amine
SMILESCCS(=O)(=O)c1cncnc1N
InChIInChI=1S/C6H9N3O2S/c1-2-12(10,11)5-3-8-4-9-6(5)7/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKeyDGUYGPVXCSIGKV-UHFFFAOYSA-N
XLogP-0.15
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylsulfonyl)-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-amine
CID 2778663
5-(Tert-butylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778670
5-(Isopropylsulfonyl)-2-morpholinopyrimidin-4-amine
CID 2819754
(4-Amino-2-methylpyrimidin-5-yl)methanesulfonic acid
CID 295887
5-(Tert-butylsulfonyl)-2-methylpyrimidin-4-amine
CID 2778601
Pyrimidine-5-sulfonamide
CID 19091293
5-(Isopropylsulfonyl)-2-piperidinopyrimidin-4-amine
CID 2778668
5-(Isopropylsulfonyl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 2819755
5-(2-Methylpropane-2-sulfonyl)pyrimidine-2,4-diamine
CID 2778671
2-Chloro-5-methanesulfonylpyrimidine
CID 15653482
2-Aminopyrimidine-5-sulfonyl chloride
CID 15885618
2-Amino-5-pyrimidinesulfonamide
CID 53420996

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonylpyrimidin-4-amine?
The IUPAC name of 5-ethylsulfonylpyrimidin-4-amine (CID 66268601) is 5-ethylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 5-ethylsulfonylpyrimidin-4-amine?
The canonical SMILES for 5-ethylsulfonylpyrimidin-4-amine is CCS(=O)(=O)c1cncnc1N.
What is the InChIKey of 5-ethylsulfonylpyrimidin-4-amine?
The InChIKey is DGUYGPVXCSIGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-12(10,11)5-3-8-4-9-6(5)7/h3-4H,2H2,1H3,(H2,7,8,9).
What are the key properties of 5-ethylsulfonylpyrimidin-4-amine?
5-ethylsulfonylpyrimidin-4-amine has a molecular weight of 187.22 g/mol, XLogP of -0.15, 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 is sourced from PubChem (CID 66268601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).