5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one

C15H13N3O3 — CID 126623606

IUPAC5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cncc2nc(C)n(Oc3ccccc3)c(=O)c12
InChIInChI=1S/C15H13N3O3/c1-10-17-12-8-16-9-13(20-2)14(12)15(19)18(10)21-11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyQJARHAQZDRUXGB-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.95
Rot. Bonds3

About 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one

5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one (PubChem CID 126623606) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one
PubChem CID126623606
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cncc2nc(C)n(Oc3ccccc3)c(=O)c12
InChIInChI=1S/C15H13N3O3/c1-10-17-12-8-16-9-13(20-2)14(12)15(19)18(10)21-11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyQJARHAQZDRUXGB-UHFFFAOYSA-N
XLogP1.95
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one (CID 126623606) is 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one is COc1cncc2nc(C)n(Oc3ccccc3)c(=O)c12.
What is the InChIKey of 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QJARHAQZDRUXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-17-12-8-16-9-13(20-2)14(12)15(19)18(10)21-11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one?
5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one has a molecular weight of 283.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3-phenoxypyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126623606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).