1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one

C22H22N4O2Si — CID 172970493

IUPAC1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one
SMILESCn1c(=O)nc(O[Si](C)(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc21
InChIInChI=1S/C22H22N4O2Si/c1-26-20-19(21(25-22(26)27)28-29(2,3)4)23-17(15-11-7-5-8-12-15)18(24-20)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyMBKDJYZSQBUAMV-UHFFFAOYSA-N
MW402.53 g/mol
LogP4.27
Rot. Bonds4

About 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one

1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one (PubChem CID 172970493) has the molecular formula C22H22N4O2Si and a molecular weight of 402.53 g/mol. Its IUPAC name is 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one.

Molecular Properties

Compound Name1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one
PubChem CID172970493
Molecular FormulaC22H22N4O2Si
Molecular Weight402.53 g/mol
Exact Mass402.15
IUPAC Name1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one
SMILESCn1c(=O)nc(O[Si](C)(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc21
InChIInChI=1S/C22H22N4O2Si/c1-26-20-19(21(25-22(26)27)28-29(2,3)4)23-17(15-11-7-5-8-12-15)18(24-20)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKeyMBKDJYZSQBUAMV-UHFFFAOYSA-N
XLogP4.27
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one?
The IUPAC name of 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one (CID 172970493) is 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one.
What is the SMILES notation for 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one?
The canonical SMILES for 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one is Cn1c(=O)nc(O[Si](C)(C)C)c2nc(-c3ccccc3)c(-c3ccccc3)nc21.
What is the InChIKey of 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one?
The InChIKey is MBKDJYZSQBUAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2Si/c1-26-20-19(21(25-22(26)27)28-29(2,3)4)23-17(15-11-7-5-8-12-15)18(24-20)16-13-9-6-10-14-16/h5-14H,1-4H3.
What are the key properties of 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one?
1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one has a molecular weight of 402.53 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-diphenyl-4-trimethylsilyloxypteridin-2-one is sourced from PubChem (CID 172970493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).