8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C16H19FN6O — CID 134071240

IUPAC8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESFc1cnc(N2CCC3(CC2)CC(Nc2ncccn2)CO3)nc1
InChIInChI=1S/C16H19FN6O/c17-12-9-20-15(21-10-12)23-6-2-16(3-7-23)8-13(11-24-16)22-14-18-4-1-5-19-14/h1,4-5,9-10,13H,2-3,6-8,11H2,(H,18,19,22)
InChIKeyBIMRHWGXEHZSNY-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.65
Rot. Bonds3

About 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 134071240) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID134071240
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESFc1cnc(N2CCC3(CC2)CC(Nc2ncccn2)CO3)nc1
InChIInChI=1S/C16H19FN6O/c17-12-9-20-15(21-10-12)23-6-2-16(3-7-23)8-13(11-24-16)22-14-18-4-1-5-19-14/h1,4-5,9-10,13H,2-3,6-8,11H2,(H,18,19,22)
InChIKeyBIMRHWGXEHZSNY-UHFFFAOYSA-N
XLogP1.65
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 134071240) is 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is Fc1cnc(N2CCC3(CC2)CC(Nc2ncccn2)CO3)nc1.
What is the InChIKey of 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is BIMRHWGXEHZSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O/c17-12-9-20-15(21-10-12)23-6-2-16(3-7-23)8-13(11-24-16)22-14-18-4-1-5-19-14/h1,4-5,9-10,13H,2-3,6-8,11H2,(H,18,19,22).
What are the key properties of 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 330.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-fluoropyrimidin-2-yl)-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 134071240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).