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

C15H15F2N3O2 — CID 135434832

IUPAC4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C15H15F2N3O2/c16-12-2-1-3-13(17)11(12)8-10-9-14(21)19-15(18-10)20-4-6-22-7-5-20/h1-3,9H,4-8H2,(H,18,19,21)
InChIKeySKKVIBRHOFYYQF-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.48
Rot. Bonds3

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

4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135434832) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135434832
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C15H15F2N3O2/c16-12-2-1-3-13(17)11(12)8-10-9-14(21)19-15(18-10)20-4-6-22-7-5-20/h1-3,9H,4-8H2,(H,18,19,21)
InChIKeySKKVIBRHOFYYQF-UHFFFAOYSA-N
XLogP1.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135434832) is 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one is O=c1cc(Cc2c(F)cccc2F)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is SKKVIBRHOFYYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c16-12-2-1-3-13(17)11(12)8-10-9-14(21)19-15(18-10)20-4-6-22-7-5-20/h1-3,9H,4-8H2,(H,18,19,21).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 307.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135434832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).