5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine

C13H20F2N4O2S — CID 178017708

IUPAC5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCS(=O)N1CCC(Nc2ncc(OC(F)F)cn2)CC1
InChIInChI=1S/C13H20F2N4O2S/c1-2-7-22(20)19-5-3-10(4-6-19)18-13-16-8-11(9-17-13)21-12(14)15/h8-10,12H,2-7H2,1H3,(H,16,17,18)
InChIKeyUIWPJZVLFSSHJC-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.03
Rot. Bonds7

About 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine

5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 178017708) has the molecular formula C13H20F2N4O2S and a molecular weight of 334.39 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID178017708
Molecular FormulaC13H20F2N4O2S
Molecular Weight334.39 g/mol
Exact Mass334.13
IUPAC Name5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCS(=O)N1CCC(Nc2ncc(OC(F)F)cn2)CC1
InChIInChI=1S/C13H20F2N4O2S/c1-2-7-22(20)19-5-3-10(4-6-19)18-13-16-8-11(9-17-13)21-12(14)15/h8-10,12H,2-7H2,1H3,(H,16,17,18)
InChIKeyUIWPJZVLFSSHJC-UHFFFAOYSA-N
XLogP2.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine (CID 178017708) is 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine is CCCS(=O)N1CCC(Nc2ncc(OC(F)F)cn2)CC1.
What is the InChIKey of 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is UIWPJZVLFSSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O2S/c1-2-7-22(20)19-5-3-10(4-6-19)18-13-16-8-11(9-17-13)21-12(14)15/h8-10,12H,2-7H2,1H3,(H,16,17,18).
What are the key properties of 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine?
5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 334.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-(1-propylsulfinylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 178017708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).