4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C16H19FN4O2 — CID 155902869

IUPAC4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=c1cc(CCC2CN(Cc3ncccc3F)CCO2)nc[nH]1
InChIInChI=1S/C16H19FN4O2/c17-14-2-1-5-18-15(14)10-21-6-7-23-13(9-21)4-3-12-8-16(22)20-11-19-12/h1-2,5,8,11,13H,3-4,6-7,9-10H2,(H,19,20,22)
InChIKeyMDMCFLLEQCOKSP-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.14
Rot. Bonds5

About 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 155902869) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID155902869
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=c1cc(CCC2CN(Cc3ncccc3F)CCO2)nc[nH]1
InChIInChI=1S/C16H19FN4O2/c17-14-2-1-5-18-15(14)10-21-6-7-23-13(9-21)4-3-12-8-16(22)20-11-19-12/h1-2,5,8,11,13H,3-4,6-7,9-10H2,(H,19,20,22)
InChIKeyMDMCFLLEQCOKSP-UHFFFAOYSA-N
XLogP1.14
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 155902869) is 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is O=c1cc(CCC2CN(Cc3ncccc3F)CCO2)nc[nH]1.
What is the InChIKey of 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is MDMCFLLEQCOKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-14-2-1-5-18-15(14)10-21-6-7-23-13(9-21)4-3-12-8-16(22)20-11-19-12/h1-2,5,8,11,13H,3-4,6-7,9-10H2,(H,19,20,22).
What are the key properties of 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 318.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 155902869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).