8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H28FN5O2 — CID 70746333

IUPAC8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(c3ncc(F)c(N(C)C)n3)C2)CCC1=O
InChIInChI=1S/C18H28FN5O2/c1-22(2)16-14(19)11-20-17(21-16)24-8-4-6-18(13-24)7-5-15(25)23(12-18)9-10-26-3/h11H,4-10,12-13H2,1-3H3
InChIKeyJLVBEQFOGPJLMY-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.54
Rot. Bonds5

About 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70746333) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70746333
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(c3ncc(F)c(N(C)C)n3)C2)CCC1=O
InChIInChI=1S/C18H28FN5O2/c1-22(2)16-14(19)11-20-17(21-16)24-8-4-6-18(13-24)7-5-15(25)23(12-18)9-10-26-3/h11H,4-10,12-13H2,1-3H3
InChIKeyJLVBEQFOGPJLMY-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13254321
8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 13608253
8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 44292309
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentyl}-4,4-dimethyl-piperidine-2,6-dione
CID 44292776
8-[(2-Ethylpyrimidin-5-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725983
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
2-(2-Hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70773275
9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493741
2-(2-Methoxyethyl)-8-{[2-(methylamino)-5-pyrimidinyl]carbonyl}-2,8-diazaspiro[5.5]undecan-3-one
CID 70705443
1-{2-[(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)(methyl)amino]ethyl}piperidin-2-one
CID 50982259

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70746333) is 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(c3ncc(F)c(N(C)C)n3)C2)CCC1=O.
What is the InChIKey of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JLVBEQFOGPJLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-22(2)16-14(19)11-20-17(21-16)24-8-4-6-18(13-24)7-5-15(25)23(12-18)9-10-26-3/h11H,4-10,12-13H2,1-3H3.
What are the key properties of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 365.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70746333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).