3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one

C19H14N2O4 — CID 1413730

IUPAC3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one
SMILESCc1cc(C)nc(Oc2c(-c3ccco3)oc3ccccc3c2=O)n1
InChIInChI=1S/C19H14N2O4/c1-11-10-12(2)21-19(20-11)25-18-16(22)13-6-3-4-7-14(13)24-17(18)15-8-5-9-23-15/h3-10H,1-2H3
InChIKeyALPNXAKURKOEAX-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.25
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one

3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one (PubChem CID 1413730) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one
PubChem CID1413730
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one
SMILESCc1cc(C)nc(Oc2c(-c3ccco3)oc3ccccc3c2=O)n1
InChIInChI=1S/C19H14N2O4/c1-11-10-12(2)21-19(20-11)25-18-16(22)13-6-3-4-7-14(13)24-17(18)15-8-5-9-23-15/h3-10H,1-2H3
InChIKeyALPNXAKURKOEAX-UHFFFAOYSA-N
XLogP4.25
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 1413736
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one
CID 1413734
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one
CID 1413717
3-(furan-2-yl)-2-methylchromen-4-one
CID 132531375
N-(3,4-dimethylphenyl)-2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxybutanamide
CID 46303519
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
ethyl 4-[2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoylamino]benzoate
CID 46303511
3-(furan-2-yl)-2-thiophen-2-ylchromen-4-one
CID 141451140
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one (CID 1413730) is 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one is Cc1cc(C)nc(Oc2c(-c3ccco3)oc3ccccc3c2=O)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one?
The InChIKey is ALPNXAKURKOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-11-10-12(2)21-19(20-11)25-18-16(22)13-6-3-4-7-14(13)24-17(18)15-8-5-9-23-15/h3-10H,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one?
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one has a molecular weight of 334.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)chromen-4-one is sourced from PubChem (CID 1413730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).