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

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Related Compounds

1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
2-(4-Methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176595
1-[3-(Pyrimidin-2-ylamino)propyl]piperidin-4-OL
CID 72897179
2-((3S,4R)-3-Fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176636
1-[(2-Aminopyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)propan-2-ol
CID 459825
4-[2-(Trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
CID 56861746
1-{6-[2-(Trifluoromethyl)morpholin-4-YL]pyrimidin-4-YL}piperidin-4-OL
CID 56865177
(2S)-3-[(2-methylpyrimidin-4-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 75494902
2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide
CID 128787231
1-[2-(2-Hydroxyethoxymethyl)pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458227
Acetic acid;(1-pyrimidin-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate
CID 66879900

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).