5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C23H21N3O4 — CID 2826297

IUPAC5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C23H21N3O4/c1-25-21-20(22(27)26(2)23(25)28)18(14-5-9-16(29-3)10-6-14)13-19(24-21)15-7-11-17(30-4)12-8-15/h5-13H,1-4H3
InChIKeyMQRFZXGYRUZODW-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.98
Rot. Bonds4

About 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2826297) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2826297
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C23H21N3O4/c1-25-21-20(22(27)26(2)23(25)28)18(14-5-9-16(29-3)10-6-14)13-19(24-21)15-7-11-17(30-4)12-8-15/h5-13H,1-4H3
InChIKeyMQRFZXGYRUZODW-UHFFFAOYSA-N
XLogP2.98
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 2826297) is 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MQRFZXGYRUZODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-25-21-20(22(27)26(2)23(25)28)18(14-5-9-16(29-3)10-6-14)13-19(24-21)15-7-11-17(30-4)12-8-15/h5-13H,1-4H3.
What are the key properties of 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 403.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2826297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).