4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine

C16H24FN5O — CID 56739118

IUPAC4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine
SMILESFc1cnc(N2CCCC3(CCNC3)C2)nc1N1CCOCC1
InChIInChI=1S/C16H24FN5O/c17-13-10-19-15(20-14(13)21-6-8-23-9-7-21)22-5-1-2-16(12-22)3-4-18-11-16/h10,18H,1-9,11-12H2
InChIKeyUMRPRYYETYEUSF-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.03
Rot. Bonds2

About 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine

4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine (PubChem CID 56739118) has the molecular formula C16H24FN5O and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine
PubChem CID56739118
Molecular FormulaC16H24FN5O
Molecular Weight321.40 g/mol
Exact Mass321.20
IUPAC Name4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine
SMILESFc1cnc(N2CCCC3(CCNC3)C2)nc1N1CCOCC1
InChIInChI=1S/C16H24FN5O/c17-13-10-19-15(20-14(13)21-6-8-23-9-7-21)22-5-1-2-16(12-22)3-4-18-11-16/h10,18H,1-9,11-12H2
InChIKeyUMRPRYYETYEUSF-UHFFFAOYSA-N
XLogP1.03
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine (CID 56739118) is 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine is Fc1cnc(N2CCCC3(CCNC3)C2)nc1N1CCOCC1.
What is the InChIKey of 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine?
The InChIKey is UMRPRYYETYEUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O/c17-13-10-19-15(20-14(13)21-6-8-23-9-7-21)22-5-1-2-16(12-22)3-4-18-11-16/h10,18H,1-9,11-12H2.
What are the key properties of 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine?
4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine has a molecular weight of 321.40 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,7-diazaspiro[4.5]decan-7-yl)-5-fluoropyrimidin-4-yl]morpholine is sourced from PubChem (CID 56739118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).