4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine

C18H19N5O2S2 — CID 59468610

IUPAC4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine
SMILESO=S(=O)(c1ccc(-c2ccnc(Nc3ccncc3)n2)s1)N1CCCCC1
InChIInChI=1S/C18H19N5O2S2/c24-27(25,23-12-2-1-3-13-23)17-5-4-16(26-17)15-8-11-20-18(22-15)21-14-6-9-19-10-7-14/h4-11H,1-3,12-13H2,(H,19,20,21,22)
InChIKeyASFKTOJEVHJACC-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.52
Rot. Bonds5

About 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine

4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine (PubChem CID 59468610) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine
PubChem CID59468610
Molecular FormulaC18H19N5O2S2
Molecular Weight401.52 g/mol
Exact Mass401.10
IUPAC Name4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine
SMILESO=S(=O)(c1ccc(-c2ccnc(Nc3ccncc3)n2)s1)N1CCCCC1
InChIInChI=1S/C18H19N5O2S2/c24-27(25,23-12-2-1-3-13-23)17-5-4-16(26-17)15-8-11-20-18(22-15)21-14-6-9-19-10-7-14/h4-11H,1-3,12-13H2,(H,19,20,21,22)
InChIKeyASFKTOJEVHJACC-UHFFFAOYSA-N
XLogP3.52
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine (CID 59468610) is 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine is O=S(=O)(c1ccc(-c2ccnc(Nc3ccncc3)n2)s1)N1CCCCC1.
What is the InChIKey of 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is ASFKTOJEVHJACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c24-27(25,23-12-2-1-3-13-23)17-5-4-16(26-17)15-8-11-20-18(22-15)21-14-6-9-19-10-7-14/h4-11H,1-3,12-13H2,(H,19,20,21,22).
What are the key properties of 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine?
4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 401.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 59468610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).