5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine

C11H18N4O2S — CID 62164699

IUPAC5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
SMILESCCC1CCCN1S(=O)(=O)c1cnc(NC)nc1
InChIInChI=1S/C11H18N4O2S/c1-3-9-5-4-6-15(9)18(16,17)10-7-13-11(12-2)14-8-10/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyAESWTADYOKDPFC-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.08
Rot. Bonds4

About 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine

5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine (PubChem CID 62164699) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
PubChem CID62164699
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
SMILESCCC1CCCN1S(=O)(=O)c1cnc(NC)nc1
InChIInChI=1S/C11H18N4O2S/c1-3-9-5-4-6-15(9)18(16,17)10-7-13-11(12-2)14-8-10/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyAESWTADYOKDPFC-UHFFFAOYSA-N
XLogP1.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62164701
[5-(2-ethylpiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329304
5-(3-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 113418709
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62152943
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylsulfonyl)-N-methylpyrimidin-2-amine
CID 62158231
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409927
5-(2-ethylmorpholin-4-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 62146813
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62147056

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine (CID 62164699) is 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine is CCC1CCCN1S(=O)(=O)c1cnc(NC)nc1.
What is the InChIKey of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
The InChIKey is AESWTADYOKDPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-9-5-4-6-15(9)18(16,17)10-7-13-11(12-2)14-8-10/h7-9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine?
5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine has a molecular weight of 270.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 62164699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).