2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane

C10H11F2N3 — CID 141386275

IUPAC2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane
SMILESFc1cc(F)nc(C2CC23CCNC3)n1
InChIInChI=1S/C10H11F2N3/c11-7-3-8(12)15-9(14-7)6-4-10(6)1-2-13-5-10/h3,6,13H,1-2,4-5H2
InChIKeyNVEVZQMKXPGQBC-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.22
Rot. Bonds1

About 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane

2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane (PubChem CID 141386275) has the molecular formula C10H11F2N3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane
PubChem CID141386275
Molecular FormulaC10H11F2N3
Molecular Weight211.21 g/mol
Exact Mass211.09
IUPAC Name2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane
SMILESFc1cc(F)nc(C2CC23CCNC3)n1
InChIInChI=1S/C10H11F2N3/c11-7-3-8(12)15-9(14-7)6-4-10(6)1-2-13-5-10/h3,6,13H,1-2,4-5H2
InChIKeyNVEVZQMKXPGQBC-UHFFFAOYSA-N
XLogP1.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The IUPAC name of 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane (CID 141386275) is 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane is Fc1cc(F)nc(C2CC23CCNC3)n1.
What is the InChIKey of 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane?
The InChIKey is NVEVZQMKXPGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c11-7-3-8(12)15-9(14-7)6-4-10(6)1-2-13-5-10/h3,6,13H,1-2,4-5H2.
What are the key properties of 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane?
2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane has a molecular weight of 211.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoropyrimidin-2-yl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 141386275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).