3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane

C19H22N2O5 — CID 143265869

IUPAC3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane
SMILESCC.COc1ccc2c(C)c(-c3cnc(OC)nc3OC)c(=O)oc2c1
InChIInChI=1S/C17H16N2O5.C2H6/c1-9-11-6-5-10(21-2)7-13(11)24-16(20)14(9)12-8-18-17(23-4)19-15(12)22-3;1-2/h5-8H,1-4H3;1-2H3
InChIKeyQREYIMZNRKGINS-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.61
Rot. Bonds4

About 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane

3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane (PubChem CID 143265869) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane.

Molecular Properties

Compound Name3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane
PubChem CID143265869
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane
SMILESCC.COc1ccc2c(C)c(-c3cnc(OC)nc3OC)c(=O)oc2c1
InChIInChI=1S/C17H16N2O5.C2H6/c1-9-11-6-5-10(21-2)7-13(11)24-16(20)14(9)12-8-18-17(23-4)19-15(12)22-3;1-2/h5-8H,1-4H3;1-2H3
InChIKeyQREYIMZNRKGINS-UHFFFAOYSA-N
XLogP3.61
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-2-methoxyphenyl)-7-methoxy-4-methylchromen-2-one
CID 118183882
3-(3,4-dichlorophenyl)-7-methoxy-4-methylchromen-2-one
CID 2372490
3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one
CID 6217099
7-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylchromen-2-one
CID 52945027
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741
7-methoxy-4-methyl-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
CID 4282806
methyl 2-[3-(4-methoxyphenyl)-4-methyl-2-oxochromen-7-yl]oxyacetate
CID 7198355
7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
CID 73437941
7-[(4-chlorophenyl)methoxy]-3-(4-methoxyphenyl)-4-methylchromen-2-one
CID 44963440
2,4-dimethoxy-5-(3-methoxyphenyl)pyrimidine
CID 76538776
7-methoxy-4-methyl-3-nitrochromen-2-one
CID 118081099
7-[(3-methoxyphenyl)methoxy]-4-methyl-3-phenylchromen-2-one
CID 44963511

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane?
The IUPAC name of 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane (CID 143265869) is 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane.
What is the SMILES notation for 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane?
The canonical SMILES for 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane is CC.COc1ccc2c(C)c(-c3cnc(OC)nc3OC)c(=O)oc2c1.
What is the InChIKey of 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane?
The InChIKey is QREYIMZNRKGINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5.C2H6/c1-9-11-6-5-10(21-2)7-13(11)24-16(20)14(9)12-8-18-17(23-4)19-15(12)22-3;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane?
3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane has a molecular weight of 358.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-4-methylchromen-2-one;ethane is sourced from PubChem (CID 143265869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).