4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C15H15F2N3O — CID 135410318

IUPAC4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(N2CCCC2)[nH]1
InChIInChI=1S/C15H15F2N3O/c16-12-4-3-5-13(17)11(12)8-10-9-14(21)19-15(18-10)20-6-1-2-7-20/h3-5,9H,1-2,6-8H2,(H,18,19,21)
InChIKeyIFKDJKDKRDFFPA-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.24
Rot. Bonds3

About 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135410318) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID135410318
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(N2CCCC2)[nH]1
InChIInChI=1S/C15H15F2N3O/c16-12-4-3-5-13(17)11(12)8-10-9-14(21)19-15(18-10)20-6-1-2-7-20/h3-5,9H,1-2,6-8H2,(H,18,19,21)
InChIKeyIFKDJKDKRDFFPA-UHFFFAOYSA-N
XLogP2.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 135410318) is 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is O=c1cc(Cc2c(F)cccc2F)nc(N2CCCC2)[nH]1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is IFKDJKDKRDFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-12-4-3-5-13(17)11(12)8-10-9-14(21)19-15(18-10)20-6-1-2-7-20/h3-5,9H,1-2,6-8H2,(H,18,19,21).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 291.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135410318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).