6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one

C20H27FN4O — CID 70313167

IUPAC6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one
SMILESCCCCC[C@@H]1CCCCN1c1nc(-c2ccncc2F)cc(=O)n1C
InChIInChI=1S/C20H27FN4O/c1-3-4-5-8-15-9-6-7-12-25(15)20-23-18(13-19(26)24(20)2)16-10-11-22-14-17(16)21/h10-11,13-15H,3-9,12H2,1-2H3/t15-/m1/s1
InChIKeyVUISMVYUDBYVID-OAHLLOKOSA-N
MW358.46 g/mol
LogP3.92
Rot. Bonds6

About 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one

6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one (PubChem CID 70313167) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one
PubChem CID70313167
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one
SMILESCCCCC[C@@H]1CCCCN1c1nc(-c2ccncc2F)cc(=O)n1C
InChIInChI=1S/C20H27FN4O/c1-3-4-5-8-15-9-6-7-12-25(15)20-23-18(13-19(26)24(20)2)16-10-11-22-14-17(16)21/h10-11,13-15H,3-9,12H2,1-2H3/t15-/m1/s1
InChIKeyVUISMVYUDBYVID-OAHLLOKOSA-N
XLogP3.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one (CID 70313167) is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one is CCCCC[C@@H]1CCCCN1c1nc(-c2ccncc2F)cc(=O)n1C.
What is the InChIKey of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one?
The InChIKey is VUISMVYUDBYVID-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-3-4-5-8-15-9-6-7-12-25(15)20-23-18(13-19(26)24(20)2)16-10-11-22-14-17(16)21/h10-11,13-15H,3-9,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one?
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one has a molecular weight of 358.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2R)-2-pentylpiperidin-1-yl]pyrimidin-4-one is sourced from PubChem (CID 70313167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).