2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C20H18N2O5 — CID 22516146

IUPAC2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cc(OC)c(-c2nc3c(c(=O)[nH]2)Cc2ccccc2O3)cc1OC
InChIInChI=1S/C20H18N2O5/c1-24-15-10-17(26-3)16(25-2)9-12(15)18-21-19(23)13-8-11-6-4-5-7-14(11)27-20(13)22-18/h4-7,9-10H,8H2,1-3H3,(H,21,22,23)
InChIKeyVXAZEODBBMTAAQ-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.16
Rot. Bonds4

About 2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 22516146) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID22516146
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cc(OC)c(-c2nc3c(c(=O)[nH]2)Cc2ccccc2O3)cc1OC
InChIInChI=1S/C20H18N2O5/c1-24-15-10-17(26-3)16(25-2)9-12(15)18-21-19(23)13-8-11-6-4-5-7-14(11)27-20(13)22-18/h4-7,9-10H,8H2,1-3H3,(H,21,22,23)
InChIKeyVXAZEODBBMTAAQ-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-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 22516146) is 2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is COc1cc(OC)c(-c2nc3c(c(=O)[nH]2)Cc2ccccc2O3)cc1OC.
What is the InChIKey of 2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is VXAZEODBBMTAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-24-15-10-17(26-3)16(25-2)9-12(15)18-21-19(23)13-8-11-6-4-5-7-14(11)27-20(13)22-18/h4-7,9-10H,8H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(2,4,5-trimethoxyphenyl)-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-(2,4,5-trimethoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22516146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).