8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

C18H28FN5O2 — CID 72897428

IUPAC8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(c3ncc(F)c(N(C)C)n3)CC2)CC1=O
InChIInChI=1S/C18H28FN5O2/c1-22(2)16-14(19)12-20-17(21-16)23-8-5-18(6-9-23)11-15(25)24(13-18)7-4-10-26-3/h12H,4-11,13H2,1-3H3
InChIKeyPKWFYMOJRZNPHO-UHFFFAOYSA-N
MW365.45 g/mol
LogP1.54
Rot. Bonds6

About 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72897428) 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-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72897428
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC Name8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(c3ncc(F)c(N(C)C)n3)CC2)CC1=O
InChIInChI=1S/C18H28FN5O2/c1-22(2)16-14(19)12-20-17(21-16)23-8-5-18(6-9-23)11-15(25)24(13-18)7-4-10-26-3/h12H,4-11,13H2,1-3H3
InChIKeyPKWFYMOJRZNPHO-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-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-{[2-(Propylamino)pyrimidin-5-YL]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50975473
2-Methyl-8-[(2-methyl-5-pyrimidinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70754159
8-(5-Fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97385434
2-Ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449700
2-(2-Methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449740
2-(Cyclopropylmethyl)-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449786
2-(Cyclopentylmethyl)-8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449801
8-(5-Fluoropyrimidin-2-yl)-1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493741
2-[9-(5-fluoropyrimidin-2-yl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
CID 118738969
2-(Cyclopropylmethyl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 118744475
N-butyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide
CID 53189240

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72897428) is 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(c3ncc(F)c(N(C)C)n3)CC2)CC1=O.
What is the InChIKey of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is PKWFYMOJRZNPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-22(2)16-14(19)12-20-17(21-16)23-8-5-18(6-9-23)11-15(25)24(13-18)7-4-10-26-3/h12H,4-11,13H2,1-3H3.
What are the key properties of 8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 365.45 g/mol, XLogP of 1.54, 6 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-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72897428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).