3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one

C21H18N2O4 — CID 1413734

IUPAC3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one
SMILESCc1cc(C)c2c(=O)c(Oc3nc(C)cc(C)n3)c(-c3ccco3)oc2c1
InChIInChI=1S/C21H18N2O4/c1-11-8-12(2)17-16(9-11)26-19(15-6-5-7-25-15)20(18(17)24)27-21-22-13(3)10-14(4)23-21/h5-10H,1-4H3
InChIKeyVNMXVIBQBKSEHF-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.87
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one

3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one (PubChem CID 1413734) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one
PubChem CID1413734
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one
SMILESCc1cc(C)c2c(=O)c(Oc3nc(C)cc(C)n3)c(-c3ccco3)oc2c1
InChIInChI=1S/C21H18N2O4/c1-11-8-12(2)17-16(9-11)26-19(15-6-5-7-25-15)20(18(17)24)27-21-22-13(3)10-14(4)23-21/h5-10H,1-4H3
InChIKeyVNMXVIBQBKSEHF-UHFFFAOYSA-N
XLogP4.87
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.87
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)chromen-4-one
CID 1413730
2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one
CID 1413717
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] acetate
CID 1409502
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] acetate
CID 7742841
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] 2-(4-methoxyphenoxy)acetate
CID 1409522
2-(furan-2-yl)-7-methyl-4-oxochromene-3-carboxylic acid
CID 138560721
[2-(furan-2-yl)-6,8-dimethyl-4-oxochromen-3-yl] benzoate
CID 1409504
2-(furan-2-yl)-6,8-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 1413285
[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] benzoate
CID 20999926
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxopropoxy)chromen-4-one
CID 1413433
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one (CID 1413734) is 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one is Cc1cc(C)c2c(=O)c(Oc3nc(C)cc(C)n3)c(-c3ccco3)oc2c1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one?
The InChIKey is VNMXVIBQBKSEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-11-8-12(2)17-16(9-11)26-19(15-6-5-7-25-15)20(18(17)24)27-21-22-13(3)10-14(4)23-21/h5-10H,1-4H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one?
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one has a molecular weight of 362.39 g/mol, XLogP of 4.87, 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)-5,7-dimethylchromen-4-one is sourced from PubChem (CID 1413734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).