2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one

C16H14N2O5 — CID 14319823

IUPAC2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one
SMILESCOc1nc(OC)c2c(=O)oc(-c3ccccc3OC)cc2n1
InChIInChI=1S/C16H14N2O5/c1-20-11-7-5-4-6-9(11)12-8-10-13(15(19)23-12)14(21-2)18-16(17-10)22-3/h4-8H,1-3H3
InChIKeyZYWJBGFGCFVFFO-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.28
Rot. Bonds4

About 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one

2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one (PubChem CID 14319823) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one
PubChem CID14319823
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one
SMILESCOc1nc(OC)c2c(=O)oc(-c3ccccc3OC)cc2n1
InChIInChI=1S/C16H14N2O5/c1-20-11-7-5-4-6-9(11)12-8-10-13(15(19)23-12)14(21-2)18-16(17-10)22-3/h4-8H,1-3H3
InChIKeyZYWJBGFGCFVFFO-UHFFFAOYSA-N
XLogP2.28
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one?
The IUPAC name of 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one (CID 14319823) is 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one is COc1nc(OC)c2c(=O)oc(-c3ccccc3OC)cc2n1.
What is the InChIKey of 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one?
The InChIKey is ZYWJBGFGCFVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-20-11-7-5-4-6-9(11)12-8-10-13(15(19)23-12)14(21-2)18-16(17-10)22-3/h4-8H,1-3H3.
What are the key properties of 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one?
2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one has a molecular weight of 314.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-7-(2-methoxyphenyl)pyrano[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 14319823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).