4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C18H27FN4O2 — CID 97372303

IUPAC4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(CC4CCOCC4)CC3)C2)nc1
InChIInChI=1S/C18H27FN4O2/c19-16-11-20-17(21-12-16)23-7-10-25-18(14-23)3-5-22(6-4-18)13-15-1-8-24-9-2-15/h11-12,15H,1-10,13-14H2
InChIKeyQQJYEHXOAZCIMY-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.71
Rot. Bonds3

About 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97372303) has the molecular formula C18H27FN4O2 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97372303
Molecular FormulaC18H27FN4O2
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC Name4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFc1cnc(N2CCOC3(CCN(CC4CCOCC4)CC3)C2)nc1
InChIInChI=1S/C18H27FN4O2/c19-16-11-20-17(21-12-16)23-7-10-25-18(14-23)3-5-22(6-4-18)13-15-1-8-24-9-2-15/h11-12,15H,1-10,13-14H2
InChIKeyQQJYEHXOAZCIMY-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-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

9-(Cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450991
2-Cyclopropyl-1-[4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97451026
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
1-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 118743025
9-(Oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118745296
Ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate
CID 50953683
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 118743009
2-Cyclopropyl-1-[8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 131644954
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97372303) is 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Fc1cnc(N2CCOC3(CCN(CC4CCOCC4)CC3)C2)nc1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is QQJYEHXOAZCIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O2/c19-16-11-20-17(21-12-16)23-7-10-25-18(14-23)3-5-22(6-4-18)13-15-1-8-24-9-2-15/h11-12,15H,1-10,13-14H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 350.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).