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

C21H18N2O4 — CID 1413736

IUPAC3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one
SMILESCc1cc(C)nc(Oc2c(-c3ccco3)oc3cc(C)c(C)cc3c2=O)n1
InChIInChI=1S/C21H18N2O4/c1-11-8-15-17(9-12(11)2)26-19(16-6-5-7-25-16)20(18(15)24)27-21-22-13(3)10-14(4)23-21/h5-10H,1-4H3
InChIKeyUYMOMPJWOKXYES-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.87
Rot. Bonds3

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

3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one (PubChem CID 1413736) 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)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one
PubChem CID1413736
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one
SMILESCc1cc(C)nc(Oc2c(-c3ccco3)oc3cc(C)c(C)cc3c2=O)n1
InChIInChI=1S/C21H18N2O4/c1-11-8-15-17(9-12(11)2)26-19(16-6-5-7-25-16)20(18(15)24)27-21-22-13(3)10-14(4)23-21/h5-10H,1-4H3
InChIKeyUYMOMPJWOKXYES-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)chromen-4-one
CID 1413730
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-5,7-dimethylchromen-4-one
CID 1413734
[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
methyl (2R)-2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxypropanoate
CID 7742903
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
ethyl 2-[2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742889
3-[2-(4-bromophenyl)-2-oxoethoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 20999935
6-chloro-2-(furan-2-yl)-7-methyl-3-(2-oxopropoxy)chromen-4-one
CID 7747752
2-(4-chlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)oxy-7-methylchromen-4-one
CID 1413717
[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] furan-2-carboxylate
CID 7742643
6-chloro-2-(furan-2-yl)-3-(2-oxopropoxy)chromen-4-one
CID 7747177

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one (CID 1413736) is 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one is Cc1cc(C)nc(Oc2c(-c3ccco3)oc3cc(C)c(C)cc3c2=O)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-dimethylchromen-4-one?
The InChIKey is UYMOMPJWOKXYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-11-8-15-17(9-12(11)2)26-19(16-6-5-7-25-16)20(18(15)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)-6,7-dimethylchromen-4-one?
3-(4,6-dimethylpyrimidin-2-yl)oxy-2-(furan-2-yl)-6,7-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)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 1413736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).