2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine

C12H20N4O2S — CID 2778668

IUPAC2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N
InChIInChI=1S/C12H20N4O2S/c1-9(2)19(17,18)10-8-14-12(15-11(10)13)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyPVIHKPOAMYVAHH-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.23
Rot. Bonds3

About 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine

2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine (PubChem CID 2778668) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine
PubChem CID2778668
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N
InChIInChI=1S/C12H20N4O2S/c1-9(2)19(17,18)10-8-14-12(15-11(10)13)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyPVIHKPOAMYVAHH-UHFFFAOYSA-N
XLogP1.23
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine?
The IUPAC name of 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine (CID 2778668) is 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine?
The canonical SMILES for 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine is CC(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N.
What is the InChIKey of 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine?
The InChIKey is PVIHKPOAMYVAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9(2)19(17,18)10-8-14-12(15-11(10)13)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine?
2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine has a molecular weight of 284.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-propan-2-ylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 2778668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).