7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine

C20H28F2N6O — CID 178089000

IUPAC7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2c1ccn2C1CCC(CN2CC(F)(F)CC23CCNCC3)O1
InChIInChI=1S/C20H28F2N6O/c1-23-17-15-4-9-28(18(15)26-13-25-17)16-3-2-14(29-16)10-27-12-20(21,22)11-19(27)5-7-24-8-6-19/h4,9,13-14,16,24H,2-3,5-8,10-12H2,1H3,(H,23,25,26)
InChIKeyYADALRMPDNZCEE-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.61
Rot. Bonds4

About 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine

7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 178089000) has the molecular formula C20H28F2N6O and a molecular weight of 406.48 g/mol. Its IUPAC name is 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID178089000
Molecular FormulaC20H28F2N6O
Molecular Weight406.48 g/mol
Exact Mass406.23
IUPAC Name7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ncnc2c1ccn2C1CCC(CN2CC(F)(F)CC23CCNCC3)O1
InChIInChI=1S/C20H28F2N6O/c1-23-17-15-4-9-28(18(15)26-13-25-17)16-3-2-14(29-16)10-27-12-20(21,22)11-19(27)5-7-24-8-6-19/h4,9,13-14,16,24H,2-3,5-8,10-12H2,1H3,(H,23,25,26)
InChIKeyYADALRMPDNZCEE-UHFFFAOYSA-N
XLogP2.61
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 178089000) is 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine is CNc1ncnc2c1ccn2C1CCC(CN2CC(F)(F)CC23CCNCC3)O1.
What is the InChIKey of 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YADALRMPDNZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N6O/c1-23-17-15-4-9-28(18(15)26-13-25-17)16-3-2-14(29-16)10-27-12-20(21,22)11-19(27)5-7-24-8-6-19/h4,9,13-14,16,24H,2-3,5-8,10-12H2,1H3,(H,23,25,26).
What are the key properties of 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 406.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(3,3-difluoro-1,8-diazaspiro[4.5]decan-1-yl)methyl]oxolan-2-yl]-N-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 178089000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).