2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine

C11H16F2N4O — CID 166547163

IUPAC2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine
SMILESCCOC1CCN(c2nccc(N)n2)CC1(F)F
InChIInChI=1S/C11H16F2N4O/c1-2-18-8-4-6-17(7-11(8,12)13)10-15-5-3-9(14)16-10/h3,5,8H,2,4,6-7H2,1H3,(H2,14,15,16)
InChIKeyVNOZDNTYQAFKFG-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.31
Rot. Bonds3

About 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine

2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine (PubChem CID 166547163) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine
PubChem CID166547163
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine
SMILESCCOC1CCN(c2nccc(N)n2)CC1(F)F
InChIInChI=1S/C11H16F2N4O/c1-2-18-8-4-6-17(7-11(8,12)13)10-15-5-3-9(14)16-10/h3,5,8H,2,4,6-7H2,1H3,(H2,14,15,16)
InChIKeyVNOZDNTYQAFKFG-UHFFFAOYSA-N
XLogP1.31
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
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
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
2-Tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 71845929
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-2-amine
CID 71981393
1-[3-(Pyrimidin-2-ylamino)propyl]piperidin-4-OL
CID 72897179
2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 75423627
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
5-Fluoro-2-(piperidin-4-yloxy)pyrimidin-4-amine
CID 44542266
2-((3S,4R)-3-Fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176636

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine (CID 166547163) is 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine is CCOC1CCN(c2nccc(N)n2)CC1(F)F.
What is the InChIKey of 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is VNOZDNTYQAFKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c1-2-18-8-4-6-17(7-11(8,12)13)10-15-5-3-9(14)16-10/h3,5,8H,2,4,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine?
2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 258.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 166547163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).