6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

C18H22FN3O2 — CID 6619663

IUPAC6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC1CC(C)CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1
InChIInChI=1S/C18H22FN3O2/c1-12-7-13(2)10-21(9-12)16-8-17(23)22(18(24)20-16)11-14-3-5-15(19)6-4-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,24)
InChIKeyRVBVWVSLJMZNRO-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.21
Rot. Bonds3

About 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione

6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 6619663) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID6619663
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC1CC(C)CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1
InChIInChI=1S/C18H22FN3O2/c1-12-7-13(2)10-21(9-12)16-8-17(23)22(18(24)20-16)11-14-3-5-15(19)6-4-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,24)
InChIKeyRVBVWVSLJMZNRO-UHFFFAOYSA-N
XLogP2.21
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 6619663) is 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is CC1CC(C)CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is RVBVWVSLJMZNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12-7-13(2)10-21(9-12)16-8-17(23)22(18(24)20-16)11-14-3-5-15(19)6-4-14/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,20,24).
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 331.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6619663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).