4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C18H28FN5O — CID 97385650

IUPAC4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(CCN4CCCC4)CC3)C2)nc1
InChIInChI=1S/C18H28FN5O/c19-16-13-20-17(21-14-16)24-11-12-25-18(15-24)3-7-23(8-4-18)10-9-22-5-1-2-6-22/h13-14H,1-12,15H2
InChIKeyUWJCKJXHPZQBAA-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.38
Rot. Bonds4

About 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97385650) has the molecular formula C18H28FN5O and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97385650
Molecular FormulaC18H28FN5O
Molecular Weight349.45 g/mol
Exact Mass349.23
IUPAC Name4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(CCN4CCCC4)CC3)C2)nc1
InChIInChI=1S/C18H28FN5O/c19-16-13-20-17(21-14-16)24-11-12-25-18(15-24)3-7-23(8-4-18)10-9-22-5-1-2-6-22/h13-14H,1-12,15H2
InChIKeyUWJCKJXHPZQBAA-UHFFFAOYSA-N
XLogP1.38
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methylbutyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510735
(4aR,7aS)-6-(cyclobutylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510736
(4aR,7aS)-6-(cyclopentylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510737
(4aR,7aS)-6-(cyclohexylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510738
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
9-(Oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118745296
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
2-[[(7R,8aR)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]oxy]-N,N-dimethylethanamine
CID 125184210

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97385650) is 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cnc(N2CCOC3(CCN(CCN4CCCC4)CC3)C2)nc1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is UWJCKJXHPZQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN5O/c19-16-13-20-17(21-14-16)24-11-12-25-18(15-24)3-7-23(8-4-18)10-9-22-5-1-2-6-22/h13-14H,1-12,15H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-fluoropyrimidin-2-yl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 349.45 g/mol, XLogP of 1.38, 4 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)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97385650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).