6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H16F3N5O2S — CID 175562009

IUPAC6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC(c2nc(N)nc(N)c2C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5O2S/c1-22(20,21)19-4-2-6(3-5-19)8-7(11(12,13)14)9(15)18-10(16)17-8/h6H,2-5H2,1H3,(H4,15,16,17,18)
InChIKeyVZLZIJAESXBIAO-UHFFFAOYSA-N
MW339.34 g/mol
LogP0.80
Rot. Bonds2

About 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 175562009) has the molecular formula C11H16F3N5O2S and a molecular weight of 339.34 g/mol. Its IUPAC name is 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID175562009
Molecular FormulaC11H16F3N5O2S
Molecular Weight339.34 g/mol
Exact Mass339.10
IUPAC Name6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCC(c2nc(N)nc(N)c2C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5O2S/c1-22(20,21)19-4-2-6(3-5-19)8-7(11(12,13)14)9(15)18-10(16)17-8/h6H,2-5H2,1H3,(H4,15,16,17,18)
InChIKeyVZLZIJAESXBIAO-UHFFFAOYSA-N
XLogP0.80
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 175562009) is 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CS(=O)(=O)N1CCC(c2nc(N)nc(N)c2C(F)(F)F)CC1.
What is the InChIKey of 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VZLZIJAESXBIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2S/c1-22(20,21)19-4-2-6(3-5-19)8-7(11(12,13)14)9(15)18-10(16)17-8/h6H,2-5H2,1H3,(H4,15,16,17,18).
What are the key properties of 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 339.34 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175562009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).