2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane

C12H15F2N3O — CID 172899307

IUPAC2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane
SMILESCOc1cc(N2CCC3(CC2)CC3(F)F)ncn1
InChIInChI=1S/C12H15F2N3O/c1-18-10-6-9(15-8-16-10)17-4-2-11(3-5-17)7-12(11,13)14/h6,8H,2-5,7H2,1H3
InChIKeyNAKUFUQVVVKTHA-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.11
Rot. Bonds2

About 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane

2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane (PubChem CID 172899307) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane
PubChem CID172899307
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane
SMILESCOc1cc(N2CCC3(CC2)CC3(F)F)ncn1
InChIInChI=1S/C12H15F2N3O/c1-18-10-6-9(15-8-16-10)17-4-2-11(3-5-17)7-12(11,13)14/h6,8H,2-5,7H2,1H3
InChIKeyNAKUFUQVVVKTHA-UHFFFAOYSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane 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 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane?
The IUPAC name of 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane (CID 172899307) is 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane.
What is the SMILES notation for 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane?
The canonical SMILES for 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane is COc1cc(N2CCC3(CC2)CC3(F)F)ncn1.
What is the InChIKey of 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane?
The InChIKey is NAKUFUQVVVKTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-18-10-6-9(15-8-16-10)17-4-2-11(3-5-17)7-12(11,13)14/h6,8H,2-5,7H2,1H3.
What are the key properties of 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane?
2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane has a molecular weight of 255.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-(6-methoxypyrimidin-4-yl)-6-azaspiro[2.5]octane is sourced from PubChem (CID 172899307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).