6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane

C17H23F3N4O — CID 131663745

IUPAC6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(C2)CN(C2CCOCC2)CCC3(F)F)nc1
InChIInChI=1S/C17H23F3N4O/c18-13-9-21-15(22-10-13)24-5-3-16(12-24)11-23(6-4-17(16,19)20)14-1-7-25-8-2-14/h9-10,14H,1-8,11-12H2
InChIKeyZPBAYAFUKOTDBE-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.33
Rot. Bonds2

About 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane

6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 131663745) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
PubChem CID131663745
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC Name6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(C2)CN(C2CCOCC2)CCC3(F)F)nc1
InChIInChI=1S/C17H23F3N4O/c18-13-9-21-15(22-10-13)24-5-3-16(12-24)11-23(6-4-17(16,19)20)14-1-7-25-8-2-14/h9-10,14H,1-8,11-12H2
InChIKeyZPBAYAFUKOTDBE-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane with MolForge

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

Launch Full Analysis

Related Compounds

6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 131655840
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
2-[10,10-difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
CID 134077542
4-[(5R)-7-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69492776
(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 97385579
8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449517
(5R)-2,9-bis(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 97450270
3,3-difluoro-1-(5-fluoropyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid
CID 135382224
2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 131649680
2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131658300
7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
CID 170607583
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane (CID 131663745) is 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane is Fc1cnc(N2CCC3(C2)CN(C2CCOCC2)CCC3(F)F)nc1.
What is the InChIKey of 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is ZPBAYAFUKOTDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c18-13-9-21-15(22-10-13)24-5-3-16(12-24)11-23(6-4-17(16,19)20)14-1-7-25-8-2-14/h9-10,14H,1-8,11-12H2.
What are the key properties of 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane?
6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 356.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131663745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).