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

C11H17F2N5 — CID 58228495

IUPAC5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine
SMILESNCC(c1cnc(N)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N5/c12-11(13)1-3-18(4-2-11)9(5-14)8-6-16-10(15)17-7-8/h6-7,9H,1-5,14H2,(H2,15,16,17)
InChIKeyMRUMOCXYGPMYDS-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.79
Rot. Bonds3

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

5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine (PubChem CID 58228495) has the molecular formula C11H17F2N5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine
PubChem CID58228495
Molecular FormulaC11H17F2N5
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine
SMILESNCC(c1cnc(N)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N5/c12-11(13)1-3-18(4-2-11)9(5-14)8-6-16-10(15)17-7-8/h6-7,9H,1-5,14H2,(H2,15,16,17)
InChIKeyMRUMOCXYGPMYDS-UHFFFAOYSA-N
XLogP0.79
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
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]pyrimidin-2-amine?
The IUPAC name of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine (CID 58228495) is 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine is NCC(c1cnc(N)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine?
The InChIKey is MRUMOCXYGPMYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5/c12-11(13)1-3-18(4-2-11)9(5-14)8-6-16-10(15)17-7-8/h6-7,9H,1-5,14H2,(H2,15,16,17).
What are the key properties of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine?
5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 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]pyrimidin-2-amine is sourced from PubChem (CID 58228495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).