5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

C17H18FN3O4S — CID 1073993

IUPAC5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C17H18FN3O4S/c18-13-4-2-1-3-11(13)9-12-15(23)19-17(20-16(12)24)26-10-14(22)21-5-7-25-8-6-21/h1-4H,5-10H2,(H2,19,20,23,24)
InChIKeyJBOZMINIKQDPEM-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.16
Rot. Bonds5

About 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one

5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 1073993) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID1073993
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
SMILESO=C(CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C17H18FN3O4S/c18-13-4-2-1-3-11(13)9-12-15(23)19-17(20-16(12)24)26-10-14(22)21-5-7-25-8-6-21/h1-4H,5-10H2,(H2,19,20,23,24)
InChIKeyJBOZMINIKQDPEM-UHFFFAOYSA-N
XLogP1.16
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one (CID 1073993) is 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is O=C(CSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is JBOZMINIKQDPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c18-13-4-2-1-3-11(13)9-12-15(23)19-17(20-16(12)24)26-10-14(22)21-5-7-25-8-6-21/h1-4H,5-10H2,(H2,19,20,23,24).
What are the key properties of 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one?
5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 379.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-4-hydroxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 1073993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).