2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

C18H22FN5O2 — CID 133136954

IUPAC2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(OCCC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C18H22FN5O2/c1-13-2-5-20-17(23-13)25-6-3-14-4-7-26-18(8-14)11-24(12-18)16-21-9-15(19)10-22-16/h2,5,9-10,14H,3-4,6-8,11-12H2,1H3
InChIKeyGTPZXHKOHCGTAR-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.17
Rot. Bonds5

About 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane

2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133136954) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID133136954
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(OCCC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1
InChIInChI=1S/C18H22FN5O2/c1-13-2-5-20-17(23-13)25-6-3-14-4-7-26-18(8-14)11-24(12-18)16-21-9-15(19)10-22-16/h2,5,9-10,14H,3-4,6-8,11-12H2,1H3
InChIKeyGTPZXHKOHCGTAR-UHFFFAOYSA-N
XLogP2.17
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124229915
(8R)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783382
(8S)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783383
(3S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124893286
2-(5-Fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131648866
2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133141620
2-(5-Fluoropyrimidin-2-yl)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 133145122
8-(4-Methylpyrimidin-2-yl)oxy-2-(oxan-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155864156
(8R)-2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124246111
(8S)-2-[(1-ethylpyrazol-4-yl)methyl]-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124246112
N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124813858
N,N-dimethyl-6-[(8S)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124813860

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 133136954) is 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(OCCC2CCOC3(C2)CN(c2ncc(F)cn2)C3)n1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is GTPZXHKOHCGTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-13-2-5-20-17(23-13)25-6-3-14-4-7-26-18(8-14)11-24(12-18)16-21-9-15(19)10-22-16/h2,5,9-10,14H,3-4,6-8,11-12H2,1H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane?
2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 359.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133136954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).