5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one

C15H11FN2O3 — CID 79431661

IUPAC5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(-c3cccc(F)c3)c(=O)[nH]2)o1
InChIInChI=1S/C15H11FN2O3/c1-8-5-6-11(21-8)13-17-14(19)12(15(20)18-13)9-3-2-4-10(16)7-9/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyVLPIPBUETWMNMW-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.85
Rot. Bonds2

About 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one

5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one (PubChem CID 79431661) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one
PubChem CID79431661
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(-c3cccc(F)c3)c(=O)[nH]2)o1
InChIInChI=1S/C15H11FN2O3/c1-8-5-6-11(21-8)13-17-14(19)12(15(20)18-13)9-3-2-4-10(16)7-9/h2-7H,1H3,(H2,17,18,19,20)
InChIKeyVLPIPBUETWMNMW-UHFFFAOYSA-N
XLogP2.85
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-furyl)-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54685900
2-(5-Methylfuran-2-yl)-3,4-dihydroquinazolin-4-one
CID 136273711
2-[5-(4-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one
CID 135925188
2-[5-(3-fluorophenyl)furan-2-yl]-3H-quinazolin-4-one
CID 136041727
Ethyl 2-(furan-2-yl)-4-(4-fluorophenyl)-6-methyl-1,4-dihyropyrimidin-5-carboxylate
CID 25000908
3-[2-(3-Fluorophenyl)ethyl]-2-(2-furanyl)-5,6,7,8-tetrahydro-4(3H)-quinazolinone
CID 57705306
4-(4-Fluorophenyl)-2-(furan-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid
CID 90255035
N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136471269
6,7-difluoro-2-(furan-2-yl)-3H-quinazolin-4-one
CID 163404405
(4Z)-2-[5-(3-fluorophenyl)furan-2-yl]-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914452
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(furan-2-ylmethyl)acetamide
CID 49807273
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 49807274

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one (CID 79431661) is 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one is Cc1ccc(-c2nc(O)c(-c3cccc(F)c3)c(=O)[nH]2)o1.
What is the InChIKey of 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one?
The InChIKey is VLPIPBUETWMNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-8-5-6-11(21-8)13-17-14(19)12(15(20)18-13)9-3-2-4-10(16)7-9/h2-7H,1H3,(H2,17,18,19,20).
What are the key properties of 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one has a molecular weight of 286.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79431661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).