5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine

C12H20N4O3S — CID 62158336

IUPAC5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCOCC2(C)C)cn1
InChIInChI=1S/C12H20N4O3S/c1-4-13-11-14-7-10(8-15-11)20(17,18)16-5-6-19-9-12(16,2)3/h7-8H,4-6,9H2,1-3H3,(H,13,14,15)
InChIKeyRTDFAIYWJXYRCA-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.71
Rot. Bonds4

About 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine

5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine (PubChem CID 62158336) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine
PubChem CID62158336
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(S(=O)(=O)N2CCOCC2(C)C)cn1
InChIInChI=1S/C12H20N4O3S/c1-4-13-11-14-7-10(8-15-11)20(17,18)16-5-6-19-9-12(16,2)3/h7-8H,4-6,9H2,1-3H3,(H,13,14,15)
InChIKeyRTDFAIYWJXYRCA-UHFFFAOYSA-N
XLogP0.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine (CID 62158336) is 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine is CCNc1ncc(S(=O)(=O)N2CCOCC2(C)C)cn1.
What is the InChIKey of 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine?
The InChIKey is RTDFAIYWJXYRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-4-13-11-14-7-10(8-15-11)20(17,18)16-5-6-19-9-12(16,2)3/h7-8H,4-6,9H2,1-3H3,(H,13,14,15).
What are the key properties of 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine?
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine has a molecular weight of 300.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylmorpholin-4-yl)sulfonyl-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 62158336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).