2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C14H15F2N3O2 — CID 155960636

IUPAC2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1C(F)(F)C12CC2)c1cnc(C2CCC2)[nH]c1=O
InChIInChI=1S/C14H15F2N3O2/c15-14(16)12(13(14)4-5-13)19-11(21)8-6-17-9(18-10(8)20)7-2-1-3-7/h6-7,12H,1-5H2,(H,19,21)(H,17,18,20)
InChIKeyHHPBOMGPJUDLQC-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.56
Rot. Bonds3

About 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 155960636) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID155960636
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1C(F)(F)C12CC2)c1cnc(C2CCC2)[nH]c1=O
InChIInChI=1S/C14H15F2N3O2/c15-14(16)12(13(14)4-5-13)19-11(21)8-6-17-9(18-10(8)20)7-2-1-3-7/h6-7,12H,1-5H2,(H,19,21)(H,17,18,20)
InChIKeyHHPBOMGPJUDLQC-UHFFFAOYSA-N
XLogP1.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 155960636) is 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC1C(F)(F)C12CC2)c1cnc(C2CCC2)[nH]c1=O.
What is the InChIKey of 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HHPBOMGPJUDLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c15-14(16)12(13(14)4-5-13)19-11(21)8-6-17-9(18-10(8)20)7-2-1-3-7/h6-7,12H,1-5H2,(H,19,21)(H,17,18,20).
What are the key properties of 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(2,2-difluorospiro[2.2]pentan-1-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 155960636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).