4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

C16H24N6O2S — CID 44591737

IUPAC4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C16H24N6O2S/c1-11(2)19-16-17-7-4-14(20-16)13-10-18-21-15(13)12-5-8-22(9-6-12)25(3,23)24/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyHENCYENWBZRSLR-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.83
Rot. Bonds5

About 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 44591737) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID44591737
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C16H24N6O2S/c1-11(2)19-16-17-7-4-14(20-16)13-10-18-21-15(13)12-5-8-22(9-6-12)25(3,23)24/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyHENCYENWBZRSLR-UHFFFAOYSA-N
XLogP1.83
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (CID 44591737) is 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2cn[nH]c2C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is HENCYENWBZRSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-11(2)19-16-17-7-4-14(20-16)13-10-18-21-15(13)12-5-8-22(9-6-12)25(3,23)24/h4,7,10-12H,5-6,8-9H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 364.48 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 44591737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).