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

C17H24F2N4O — CID 131655840

IUPAC6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(C2CCOCC2)CC12CCN(c1ncccn1)C2
InChIInChI=1S/C17H24F2N4O/c18-17(19)5-9-22(14-2-10-24-11-3-14)12-16(17)4-8-23(13-16)15-20-6-1-7-21-15/h1,6-7,14H,2-5,8-13H2
InChIKeyMOMILSIGPADKQE-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.19
Rot. Bonds2

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

6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 131655840) has the molecular formula C17H24F2N4O and a molecular weight of 338.40 g/mol. Its IUPAC name is 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID131655840
Molecular FormulaC17H24F2N4O
Molecular Weight338.40 g/mol
Exact Mass338.19
IUPAC Name6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCN(C2CCOCC2)CC12CCN(c1ncccn1)C2
InChIInChI=1S/C17H24F2N4O/c18-17(19)5-9-22(14-2-10-24-11-3-14)12-16(17)4-8-23(13-16)15-20-6-1-7-21-15/h1,6-7,14H,2-5,8-13H2
InChIKeyMOMILSIGPADKQE-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-(oxan-4-yl)-2,9-diazaspiro[4.5]decane
CID 131663745
8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449517
2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 131649680
(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97399379
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
2-[4-[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidine
CID 26392023
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746900
1-(oxan-4-yl)-4-pyrimidin-2-yl-1,4-diazepane-6-carboxamide
CID 127245468
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(3S,5S)-7-(oxan-4-yl)-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124520570
2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392847

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 131655840) is 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is FC1(F)CCN(C2CCOCC2)CC12CCN(c1ncccn1)C2.
What is the InChIKey of 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is MOMILSIGPADKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O/c18-17(19)5-9-22(14-2-10-24-11-3-14)12-16(17)4-8-23(13-16)15-20-6-1-7-21-15/h1,6-7,14H,2-5,8-13H2.
What are the key properties of 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 338.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 131655840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).