2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine

C11H16F2N4 — CID 50959945

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H16F2N4/c1-2-14-9-3-6-15-10(16-9)17-7-4-11(12,13)5-8-17/h3,6H,2,4-5,7-8H2,1H3,(H,14,15,16)
InChIKeyVZYCSUDALSLWJX-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.14
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine

2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine (PubChem CID 50959945) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine
PubChem CID50959945
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C11H16F2N4/c1-2-14-9-3-6-15-10(16-9)17-7-4-11(12,13)5-8-17/h3,6H,2,4-5,7-8H2,1H3,(H,14,15,16)
InChIKeyVZYCSUDALSLWJX-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine (CID 50959945) is 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is VZYCSUDALSLWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-2-14-9-3-6-15-10(16-9)17-7-4-11(12,13)5-8-17/h3,6H,2,4-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine?
2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 242.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 50959945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).