11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C13H19FN4O — CID 118739183

IUPAC11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cnc(N2CCOCC3(CCCNC3)C2)nc1
InChIInChI=1S/C13H19FN4O/c14-11-6-16-12(17-7-11)18-4-5-19-10-13(9-18)2-1-3-15-8-13/h6-7,15H,1-5,8-10H2
InChIKeyMJFCTKRHRLBALO-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.82
Rot. Bonds1

About 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118739183) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118739183
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1cnc(N2CCOCC3(CCCNC3)C2)nc1
InChIInChI=1S/C13H19FN4O/c14-11-6-16-12(17-7-11)18-4-5-19-10-13(9-18)2-1-3-15-8-13/h6-7,15H,1-5,8-10H2
InChIKeyMJFCTKRHRLBALO-UHFFFAOYSA-N
XLogP0.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-(Cyclopropylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118743550
5-fluoro-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171359498
5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
CID 171359687
5-Fluoro-2-[(piperidin-3-yl)methoxy]pyrimidine
CID 71643593
5-Fluoro-2-(2-piperidin-4-ylethoxy)pyrimidine
CID 71643601
5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-2-amine
CID 75482685
2-chloro-5-fluoro-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 79080536
[1-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]piperidin-3-yl]methanol
CID 80793581
[1-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80793785
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012
5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813808
2-N-ethyl-5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813811

Frequently Asked Questions

What is the IUPAC name of 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118739183) is 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1cnc(N2CCOCC3(CCCNC3)C2)nc1.
What is the InChIKey of 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is MJFCTKRHRLBALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c14-11-6-16-12(17-7-11)18-4-5-19-10-13(9-18)2-1-3-15-8-13/h6-7,15H,1-5,8-10H2.
What are the key properties of 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 266.32 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118739183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).