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

C17H19F2N3O3 — CID 4614419

IUPAC5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C17H19F2N3O3/c1-21-16(24)13(8-10-2-3-11(18)9-14(10)19)15(20-17(21)25)22-6-4-12(23)5-7-22/h2-3,9,12,23H,4-8H2,1H3,(H,20,25)
InChIKeyJKMGUYBMVICMPG-UHFFFAOYSA-N
MW351.35 g/mol
LogP0.90
Rot. Bonds3

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

5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 4614419) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID4614419
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C17H19F2N3O3/c1-21-16(24)13(8-10-2-3-11(18)9-14(10)19)15(20-17(21)25)22-6-4-12(23)5-7-22/h2-3,9,12,23H,4-8H2,1H3,(H,20,25)
InChIKeyJKMGUYBMVICMPG-UHFFFAOYSA-N
XLogP0.90
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 4614419) is 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N2CCC(O)CC2)c(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is JKMGUYBMVICMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-21-16(24)13(8-10-2-3-11(18)9-14(10)19)15(20-17(21)25)22-6-4-12(23)5-7-22/h2-3,9,12,23H,4-8H2,1H3,(H,20,25).
What are the key properties of 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 351.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]-6-(4-hydroxypiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4614419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).