2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine

C20H15N3O — CID 10828998

IUPAC2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine
SMILESCOc1nc(-c2ccccc2)c2ccc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H15N3O/c1-24-20-22-18(15-10-6-3-7-11-15)16-12-13-17(21-19(16)23-20)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyRXLZNADINQGHTI-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.37
Rot. Bonds3

About 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine

2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine (PubChem CID 10828998) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine
PubChem CID10828998
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine
SMILESCOc1nc(-c2ccccc2)c2ccc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H15N3O/c1-24-20-22-18(15-10-6-3-7-11-15)16-12-13-17(21-19(16)23-20)14-8-4-2-5-9-14/h2-13H,1H3
InChIKeyRXLZNADINQGHTI-UHFFFAOYSA-N
XLogP4.37
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine (CID 10828998) is 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine is COc1nc(-c2ccccc2)c2ccc(-c3ccccc3)nc2n1.
What is the InChIKey of 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine?
The InChIKey is RXLZNADINQGHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-24-20-22-18(15-10-6-3-7-11-15)16-12-13-17(21-19(16)23-20)14-8-4-2-5-9-14/h2-13H,1H3.
What are the key properties of 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine?
2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine has a molecular weight of 313.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,7-diphenylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 10828998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).