7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one

C13H18ClN3O2Si — CID 131736065

IUPAC7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2cc(Cl)ncc2c1=O
InChIInChI=1S/C13H18ClN3O2Si/c1-20(2,3)5-4-19-9-17-8-16-11-6-12(14)15-7-10(11)13(17)18/h6-8H,4-5,9H2,1-3H3
InChIKeyGHNNQEJZZOBEGU-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.76
Rot. Bonds5

About 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one

7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 131736065) has the molecular formula C13H18ClN3O2Si and a molecular weight of 311.84 g/mol. Its IUPAC name is 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID131736065
Molecular FormulaC13H18ClN3O2Si
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2cc(Cl)ncc2c1=O
InChIInChI=1S/C13H18ClN3O2Si/c1-20(2,3)5-4-19-9-17-8-16-11-6-12(14)15-7-10(11)13(17)18/h6-8H,4-5,9H2,1-3H3
InChIKeyGHNNQEJZZOBEGU-UHFFFAOYSA-N
XLogP2.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736066
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156699040
2-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 167374733
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 90258343
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
trimethyl-[2-[[7-(2-trimethylsilylethoxymethoxy)benzimidazol-1-yl]methoxy]ethyl]silane
CID 67293077
ethyl 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one (CID 131736065) is 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one is C[Si](C)(C)CCOCn1cnc2cc(Cl)ncc2c1=O.
What is the InChIKey of 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GHNNQEJZZOBEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2Si/c1-20(2,3)5-4-19-9-17-8-16-11-6-12(14)15-7-10(11)13(17)18/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one?
7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 311.84 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 131736065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).