8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione

C15H22ClN3O4Si — CID 172734959

IUPAC8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCCOc1c(Cl)ncc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C15H22ClN3O4Si/c1-15(2,3)24(4,5)23-7-6-22-11-10-9(8-17-12(11)16)13(20)19-14(21)18-10/h8H,6-7H2,1-5H3,(H2,18,19,20,21)
InChIKeyIHPGFDGJQRMEQG-UHFFFAOYSA-N
MW371.90 g/mol
LogP2.67
Rot. Bonds5

About 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione

8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 172734959) has the molecular formula C15H22ClN3O4Si and a molecular weight of 371.90 g/mol. Its IUPAC name is 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID172734959
Molecular FormulaC15H22ClN3O4Si
Molecular Weight371.90 g/mol
Exact Mass371.11
IUPAC Name8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCCOc1c(Cl)ncc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C15H22ClN3O4Si/c1-15(2,3)24(4,5)23-7-6-22-11-10-9(8-17-12(11)16)13(20)19-14(21)18-10/h8H,6-7H2,1-5H3,(H2,18,19,20,21)
InChIKeyIHPGFDGJQRMEQG-UHFFFAOYSA-N
XLogP2.67
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 52.67
H-Bond Donors ≤ 52
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

tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane
CID 168866865
ethane;7-methoxy-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 166534222
tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
CID 169448663
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carbonitrile
CID 145416294
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471536
tert-butyl-[2-[5-(5,6-dichloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethoxy]-dimethylsilane
CID 90374051
tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane
CID 18346510
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-3-pyridinyl]-7-chloro-6-fluoroquinazoline-2,4-dione
CID 156678309
2-tert-butyl-5-[[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]phenyl]methoxy]-4-chloropyridazin-3-one
CID 90037171
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325

Frequently Asked Questions

What is the IUPAC name of 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 172734959) is 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OCCOc1c(Cl)ncc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is IHPGFDGJQRMEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4Si/c1-15(2,3)24(4,5)23-7-6-22-11-10-9(8-17-12(11)16)13(20)19-14(21)18-10/h8H,6-7H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 371.90 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-7-chloro-1H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 172734959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).