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

C15H16FN3O3 — CID 4621937

IUPAC3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCOCC2)[nH]c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3/c16-12-3-1-11(2-4-12)10-19-14(20)9-13(17-15(19)21)18-5-7-22-8-6-18/h1-4,9H,5-8,10H2,(H,17,21)
InChIKeyTUKSGBWCTZQWEA-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.56
Rot. Bonds3

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

3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 4621937) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID4621937
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESO=c1cc(N2CCOCC2)[nH]c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O3/c16-12-3-1-11(2-4-12)10-19-14(20)9-13(17-15(19)21)18-5-7-22-8-6-18/h1-4,9H,5-8,10H2,(H,17,21)
InChIKeyTUKSGBWCTZQWEA-UHFFFAOYSA-N
XLogP0.56
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (CID 4621937) is 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is O=c1cc(N2CCOCC2)[nH]c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is TUKSGBWCTZQWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-12-3-1-11(2-4-12)10-19-14(20)9-13(17-15(19)21)18-5-7-22-8-6-18/h1-4,9H,5-8,10H2,(H,17,21).
What are the key properties of 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 305.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4621937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).