2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C20H18N2O5 — CID 22515993

IUPAC2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(OC)c2O3)cc1OC
InChIInChI=1S/C20H18N2O5/c1-24-14-8-7-12(10-16(14)26-3)18-21-19(23)13-9-11-5-4-6-15(25-2)17(11)27-20(13)22-18/h4-8,10H,9H2,1-3H3,(H,21,22,23)
InChIKeyDCRMMHAWCXDLAZ-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.16
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 22515993) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID22515993
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(OC)c2O3)cc1OC
InChIInChI=1S/C20H18N2O5/c1-24-14-8-7-12(10-16(14)26-3)18-21-19(23)13-9-11-5-4-6-15(25-2)17(11)27-20(13)22-18/h4-8,10H,9H2,1-3H3,(H,21,22,23)
InChIKeyDCRMMHAWCXDLAZ-UHFFFAOYSA-N
XLogP3.16
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 22515993) is 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is COc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(OC)c2O3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is DCRMMHAWCXDLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-24-14-8-7-12(10-16(14)26-3)18-21-19(23)13-9-11-5-4-6-15(25-2)17(11)27-20(13)22-18/h4-8,10H,9H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 366.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22515993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).