9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

C18H21FN4O2 — CID 118960462

IUPAC9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cccc(Oc2ccnc(N3CCC4(CC3)CNCCO4)n2)c1
InChIInChI=1S/C18H21FN4O2/c19-14-2-1-3-15(12-14)25-16-4-7-21-17(22-16)23-9-5-18(6-10-23)13-20-8-11-24-18/h1-4,7,12,20H,5-6,8-11,13H2
InChIKeyTYLUAGXHVPXCPL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.37
Rot. Bonds3

About 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118960462) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118960462
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cccc(Oc2ccnc(N3CCC4(CC3)CNCCO4)n2)c1
InChIInChI=1S/C18H21FN4O2/c19-14-2-1-3-15(12-14)25-16-4-7-21-17(22-16)23-9-5-18(6-10-23)13-20-8-11-24-18/h1-4,7,12,20H,5-6,8-11,13H2
InChIKeyTYLUAGXHVPXCPL-UHFFFAOYSA-N
XLogP2.37
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44393134
CID 44393134
CID 10737897
CID 10737897
CID 44393169
CID 44393169
CID 46879856
CID 46879856
CID 46879893
CID 46879893
CID 2210271
CID 2210271
CID 15512070
CID 15512070
CID 15817410
CID 15817410
CID 21997225
CID 21997225
CID 25026285
CID 25026285
CID 44393161
CID 44393161
CID 46879753
CID 46879753

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118960462) is 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cccc(Oc2ccnc(N3CCC4(CC3)CNCCO4)n2)c1.
What is the InChIKey of 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is TYLUAGXHVPXCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-2-1-3-15(12-14)25-16-4-7-21-17(22-16)23-9-5-18(6-10-23)13-20-8-11-24-18/h1-4,7,12,20H,5-6,8-11,13H2.
What are the key properties of 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 344.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-fluorophenoxy)pyrimidin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118960462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).