2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol

C11H16F2N4O2 — CID 156538102

IUPAC2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol
SMILESNc1ccnc(N2CCC(OCCO)C(F)(F)C2)n1
InChIInChI=1S/C11H16F2N4O2/c12-11(13)7-17(4-2-8(11)19-6-5-18)10-15-3-1-9(14)16-10/h1,3,8,18H,2,4-7H2,(H2,14,15,16)
InChIKeySQQPYWOUORUFRX-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.28
Rot. Bonds4

About 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol

2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol (PubChem CID 156538102) has the molecular formula C11H16F2N4O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol
PubChem CID156538102
Molecular FormulaC11H16F2N4O2
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol
SMILESNc1ccnc(N2CCC(OCCO)C(F)(F)C2)n1
InChIInChI=1S/C11H16F2N4O2/c12-11(13)7-17(4-2-8(11)19-6-5-18)10-15-3-1-9(14)16-10/h1,3,8,18H,2,4-7H2,(H2,14,15,16)
InChIKeySQQPYWOUORUFRX-UHFFFAOYSA-N
XLogP0.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol (CID 156538102) is 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol is Nc1ccnc(N2CCC(OCCO)C(F)(F)C2)n1.
What is the InChIKey of 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol?
The InChIKey is SQQPYWOUORUFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O2/c12-11(13)7-17(4-2-8(11)19-6-5-18)10-15-3-1-9(14)16-10/h1,3,8,18H,2,4-7H2,(H2,14,15,16).
What are the key properties of 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol?
2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol has a molecular weight of 274.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol is sourced from PubChem (CID 156538102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).