5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine

C10H17N5O2S — CID 46360864

IUPAC5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine
SMILESCCN1CCN(S(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C10H17N5O2S/c1-2-14-3-5-15(6-4-14)18(16,17)9-7-12-10(11)13-8-9/h7-8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyBLFSOISKATYQIG-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.62
Rot. Bonds3

About 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine

5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine (PubChem CID 46360864) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine
PubChem CID46360864
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine
SMILESCCN1CCN(S(=O)(=O)c2cnc(N)nc2)CC1
InChIInChI=1S/C10H17N5O2S/c1-2-14-3-5-15(6-4-14)18(16,17)9-7-12-10(11)13-8-9/h7-8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyBLFSOISKATYQIG-UHFFFAOYSA-N
XLogP-0.62
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine (CID 46360864) is 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine is CCN1CCN(S(=O)(=O)c2cnc(N)nc2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine?
The InChIKey is BLFSOISKATYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-2-14-3-5-15(6-4-14)18(16,17)9-7-12-10(11)13-8-9/h7-8H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine?
5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine has a molecular weight of 271.35 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)sulfonylpyrimidin-2-amine is sourced from PubChem (CID 46360864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).