2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

C15H12N2O3 — CID 79417178

IUPAC2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(-c3ccoc3)[nH]c2=O)c1
InChIInChI=1S/C15H12N2O3/c1-9-3-2-4-10(7-9)12-14(18)16-13(17-15(12)19)11-5-6-20-8-11/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyVKDHWPVSUSQZEX-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.71
Rot. Bonds2

About 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79417178) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79417178
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(-c3ccoc3)[nH]c2=O)c1
InChIInChI=1S/C15H12N2O3/c1-9-3-2-4-10(7-9)12-14(18)16-13(17-15(12)19)11-5-6-20-8-11/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyVKDHWPVSUSQZEX-UHFFFAOYSA-N
XLogP2.71
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (CID 79417178) is 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is Cc1cccc(-c2c(O)nc(-c3ccoc3)[nH]c2=O)c1.
What is the InChIKey of 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is VKDHWPVSUSQZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-3-2-4-10(7-9)12-14(18)16-13(17-15(12)19)11-5-6-20-8-11/h2-8H,1H3,(H2,16,17,18,19).
What are the key properties of 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 268.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79417178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).