8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C18H21FN4O — CID 118746447

IUPAC8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cccc(N2CCCC3(C2)CN(c2ncccn2)CCO3)c1
InChIInChI=1S/C18H21FN4O/c19-15-4-1-5-16(12-15)22-9-2-6-18(13-22)14-23(10-11-24-18)17-20-7-3-8-21-17/h1,3-5,7-8,12H,2,6,9-11,13-14H2
InChIKeyMCFDDPWKBRKXIW-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.49
Rot. Bonds2

About 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118746447) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118746447
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESFc1cccc(N2CCCC3(C2)CN(c2ncccn2)CCO3)c1
InChIInChI=1S/C18H21FN4O/c19-15-4-1-5-16(12-15)22-9-2-6-18(13-22)14-23(10-11-24-18)17-20-7-3-8-21-17/h1,3-5,7-8,12H,2,6,9-11,13-14H2
InChIKeyMCFDDPWKBRKXIW-UHFFFAOYSA-N
XLogP2.49
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-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

5-(2-Morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53326637
N2-(3,5-dimorpholinophenyl)-N4-methyl-N4-phenylpyrimidine-2,4-diamine
CID 25014762
4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049
N-(4-morpholinophenyl)-4-phenylpyrimidin-2-amine
CID 46882359
5-(2,6-Dimorpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 59507937
4-[4-[(E)-2-[6-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]pyrimidin-4-yl]ethenyl]phenyl]morpholine
CID 71459257
5-Fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 1085354
5-[(Benzyl-methyl-amino)-methyl]-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine
CID 10341735
4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 71454942
N-(3-methylphenyl)-4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-amine
CID 71462104
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 118721661
4-N-(2,6-difluorophenyl)-5-fluoro-2-N-(3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 127034835

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118746447) is 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is Fc1cccc(N2CCCC3(C2)CN(c2ncccn2)CCO3)c1.
What is the InChIKey of 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is MCFDDPWKBRKXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-4-1-5-16(12-15)22-9-2-6-18(13-22)14-23(10-11-24-18)17-20-7-3-8-21-17/h1,3-5,7-8,12H,2,6,9-11,13-14H2.
What are the key properties of 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 328.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).