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

C17H20FN3O3 — CID 5310075

IUPAC6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C17H20FN3O3/c1-11-8-20(9-12(2)24-11)15-7-16(22)21(17(23)19-15)10-13-3-5-14(18)6-4-13/h3-7,11-12H,8-10H2,1-2H3,(H,19,23)
InChIKeyJYJIRPZPQKWYKD-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.34
Rot. Bonds3

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

6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 5310075) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID5310075
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C17H20FN3O3/c1-11-8-20(9-12(2)24-11)15-7-16(22)21(17(23)19-15)10-13-3-5-14(18)6-4-13/h3-7,11-12H,8-10H2,1-2H3,(H,19,23)
InChIKeyJYJIRPZPQKWYKD-UHFFFAOYSA-N
XLogP1.34
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide
CID 4221772
3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4621937
3-(4-fluorobenzyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 7080707
6-(4-ethylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 7080709
1-[(4-Fluorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57391362
1-(3-Fluorobenzyl)-7-morpholinoimidazo[1,2-a]pyrimidin-5(1H)-one
CID 57401867
1-(2-Fluorobenzyl)-7-morpholinoimidazo[1,2-a]pyrimidin-5(1H)-one
CID 57403576
6-Amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
CID 2119654
methyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
CID 3241357
6-Amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
CID 2091447
ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
CID 5310115
ethyl 4-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperazine-1-carboxylate
CID 3240706

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 5310075) is 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is CC1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JYJIRPZPQKWYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-8-20(9-12(2)24-11)15-7-16(22)21(17(23)19-15)10-13-3-5-14(18)6-4-13/h3-7,11-12H,8-10H2,1-2H3,(H,19,23).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione?
6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 333.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5310075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).