4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C18H21FN4O2 — CID 118745047

IUPAC4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESFc1ccc(N2CCOC3(COCCN(c4ncccn4)C3)C2)cc1
InChIInChI=1S/C18H21FN4O2/c19-15-2-4-16(5-3-15)22-9-11-25-18(12-22)13-23(8-10-24-14-18)17-20-6-1-7-21-17/h1-7H,8-14H2
InChIKeyNVSSWVGHLKUGHR-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.73
Rot. Bonds2

About 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 118745047) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID118745047
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESFc1ccc(N2CCOC3(COCCN(c4ncccn4)C3)C2)cc1
InChIInChI=1S/C18H21FN4O2/c19-15-2-4-16(5-3-15)22-9-11-25-18(12-22)13-23(8-10-24-14-18)17-20-6-1-7-21-17/h1-7H,8-14H2
InChIKeyNVSSWVGHLKUGHR-UHFFFAOYSA-N
XLogP1.73
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 118745047) is 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is Fc1ccc(N2CCOC3(COCCN(c4ncccn4)C3)C2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is NVSSWVGHLKUGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-2-4-16(5-3-15)22-9-11-25-18(12-22)13-23(8-10-24-14-18)17-20-6-1-7-21-17/h1-7H,8-14H2.
What are the key properties of 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 344.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118745047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).