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

C16H23N3O2Si — CID 131736066

IUPAC7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2cc(C3CC3)ncc2c1=O
InChIInChI=1S/C16H23N3O2Si/c1-22(2,3)7-6-21-11-19-10-18-15-8-14(12-4-5-12)17-9-13(15)16(19)20/h8-10,12H,4-7,11H2,1-3H3
InChIKeyMWCJRMYPSSFPMR-UHFFFAOYSA-N
MW317.47 g/mol
LogP2.98
Rot. Bonds6

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

7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 131736066) has the molecular formula C16H23N3O2Si and a molecular weight of 317.47 g/mol. Its IUPAC name is 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID131736066
Molecular FormulaC16H23N3O2Si
Molecular Weight317.47 g/mol
Exact Mass317.16
IUPAC Name7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESC[Si](C)(C)CCOCn1cnc2cc(C3CC3)ncc2c1=O
InChIInChI=1S/C16H23N3O2Si/c1-22(2,3)7-6-21-11-19-10-18-15-8-14(12-4-5-12)17-9-13(15)16(19)20/h8-10,12H,4-7,11H2,1-3H3
InChIKeyMWCJRMYPSSFPMR-UHFFFAOYSA-N
XLogP2.98
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736065
5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156699040
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
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-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
2-[[5-cyclopropyl-4-(2,5-dichlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164851760
2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 172608788

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one (CID 131736066) is 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one is C[Si](C)(C)CCOCn1cnc2cc(C3CC3)ncc2c1=O.
What is the InChIKey of 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MWCJRMYPSSFPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2Si/c1-22(2,3)7-6-21-11-19-10-18-15-8-14(12-4-5-12)17-9-13(15)16(19)20/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one?
7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 317.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 131736066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).