5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine

C13H21F2N5 — CID 58228489

IUPAC5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(C(CN)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H21F2N5/c1-19(2)12-17-8-10(9-18-12)11(7-16)20-5-3-13(14,15)4-6-20/h8-9,11H,3-7,16H2,1-2H3
InChIKeyRLOMNJPICFIATH-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.27
Rot. Bonds4

About 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine

5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 58228489) has the molecular formula C13H21F2N5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID58228489
Molecular FormulaC13H21F2N5
Molecular Weight285.34 g/mol
Exact Mass285.18
IUPAC Name5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(C(CN)N2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H21F2N5/c1-19(2)12-17-8-10(9-18-12)11(7-16)20-5-3-13(14,15)4-6-20/h8-9,11H,3-7,16H2,1-2H3
InChIKeyRLOMNJPICFIATH-UHFFFAOYSA-N
XLogP1.27
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine (CID 58228489) is 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(C(CN)N2CCC(F)(F)CC2)cn1.
What is the InChIKey of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is RLOMNJPICFIATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N5/c1-19(2)12-17-8-10(9-18-12)11(7-16)20-5-3-13(14,15)4-6-20/h8-9,11H,3-7,16H2,1-2H3.
What are the key properties of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine?
5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 285.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 58228489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).