5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine

C10H16N4O2S — CID 82380609

IUPAC5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(C2CCNCC2)nc1N
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)8-6-13-10(14-9(8)11)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H2,11,13,14)
InChIKeyLOEJYHRPJVBVRD-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.07
Rot. Bonds2

About 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine

5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine (PubChem CID 82380609) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine
PubChem CID82380609
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(C2CCNCC2)nc1N
InChIInChI=1S/C10H16N4O2S/c1-17(15,16)8-6-13-10(14-9(8)11)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H2,11,13,14)
InChIKeyLOEJYHRPJVBVRD-UHFFFAOYSA-N
XLogP-0.07
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine (CID 82380609) is 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine is CS(=O)(=O)c1cnc(C2CCNCC2)nc1N.
What is the InChIKey of 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is LOEJYHRPJVBVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-17(15,16)8-6-13-10(14-9(8)11)7-2-4-12-5-3-7/h6-7,12H,2-5H2,1H3,(H2,11,13,14).
What are the key properties of 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine?
5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 256.33 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 82380609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).