4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C15H21FN4O2 — CID 131639872

IUPAC4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESC=CCN1CCOCC2(C1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H21FN4O2/c1-2-3-19-4-6-21-12-15(10-19)11-20(5-7-22-15)14-17-8-13(16)9-18-14/h2,8-9H,1,3-7,10-12H2
InChIKeyFAEGXIDNFHJGHE-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.71
Rot. Bonds3

About 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 131639872) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID131639872
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESC=CCN1CCOCC2(C1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H21FN4O2/c1-2-3-19-4-6-21-12-15(10-19)11-20(5-7-22-15)14-17-8-13(16)9-18-14/h2,8-9H,1,3-7,10-12H2
InChIKeyFAEGXIDNFHJGHE-UHFFFAOYSA-N
XLogP0.71
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
4-(5-Methylpyrimidin-2-YL)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 72848462
2-Methyl-1-(8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)propan-1-one
CID 118740967
8-Pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118740969
4-Methyl-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740971
N,N-dimethyl-2-(4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl)acetamide
CID 118744485
2-[4-(5-fluoropyrimidin-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
CID 118744487
4-(2-Chloro-5-fluoropyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79080427
4-(5-Fluoropyrimidin-2-yl)morpholine
CID 92130768
(2R,6S)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124892030
4-(2-Chloro-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-2-methylmorpholine
CID 172608401
3-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane
CID 3479212

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 131639872) is 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is C=CCN1CCOCC2(C1)CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is FAEGXIDNFHJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-2-3-19-4-6-21-12-15(10-19)11-20(5-7-22-15)14-17-8-13(16)9-18-14/h2,8-9H,1,3-7,10-12H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 308.36 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131639872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).