2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C14H15FN2O3 — CID 79438582

IUPAC2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O3/c1-3-20-8(2)12-16-13(18)11(14(19)17-12)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeySHZPHAQTAPCGLQ-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.38
Rot. Bonds4

About 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79438582) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79438582
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)c1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O3/c1-3-20-8(2)12-16-13(18)11(14(19)17-12)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeySHZPHAQTAPCGLQ-UHFFFAOYSA-N
XLogP2.38
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-isobutyl-5-phenyl-1H-pyrimidin-6-one
CID 65428960
5-Benzyl-6-hydroxy-2-methyl-3,4-dihydro-4-pyrimidon
CID 25420561
2-[(4-fluorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 55217207
2-(4-fluorophenyl)-N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 66758825
2-(4-fluorophenyl)-2-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 90947004
2-ethyl-4-fluoro-5-phenyl-1H-pyrimidin-6-one
CID 136459855
5-fluoro-2-[4-[[4-hydroxy-6-oxo-2-(propan-2-yloxymethyl)-1H-pyrimidin-5-yl]methyl]phenyl]benzamide
CID 156554438
4-hydroxy-2-methyl-5-(2,4,6-trifluorophenyl)-1H-pyrimidin-6-one
CID 167474416
2-[(3,5-difluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 55215666
2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216242
2-[(2-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216633
2-[(4-fluorophenyl)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217019

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79438582) is 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(C)c1nc(O)c(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is SHZPHAQTAPCGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-20-8(2)12-16-13(18)11(14(19)17-12)9-4-6-10(15)7-5-9/h4-8H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 278.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79438582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).