N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine

C12H20N4O2S — CID 97137441

IUPACN-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCCC[C@@H]1CCNc1ccncn1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-9-3-2-4-11(16)5-8-14-12-6-7-13-10-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,13,14,15)/t11-/m1/s1
InChIKeyGHSQHUJXIXBXKY-LLVKDONJSA-N
MW284.38 g/mol
LogP1.09
Rot. Bonds5

About N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine

N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine (PubChem CID 97137441) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine
PubChem CID97137441
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine
SMILESCS(=O)(=O)N1CCCC[C@@H]1CCNc1ccncn1
InChIInChI=1S/C12H20N4O2S/c1-19(17,18)16-9-3-2-4-11(16)5-8-14-12-6-7-13-10-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,13,14,15)/t11-/m1/s1
InChIKeyGHSQHUJXIXBXKY-LLVKDONJSA-N
XLogP1.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine (CID 97137441) is N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine is CS(=O)(=O)N1CCCC[C@@H]1CCNc1ccncn1.
What is the InChIKey of N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine?
The InChIKey is GHSQHUJXIXBXKY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-19(17,18)16-9-3-2-4-11(16)5-8-14-12-6-7-13-10-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,13,14,15)/t11-/m1/s1.
What are the key properties of N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine?
N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine has a molecular weight of 284.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 97137441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).