9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C17H29ClN2O2Si — CID 86711135

IUPAC9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCCl)CCCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29ClN2O2Si/c1-12-13(9-10-18)16(21)20-11-7-8-14(15(20)19-12)22-23(5,6)17(2,3)4/h14H,7-11H2,1-6H3
InChIKeyRFFRVXTWIIJWQD-UHFFFAOYSA-N
MW356.97 g/mol
LogP4.19
Rot. Bonds4

About 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 86711135) has the molecular formula C17H29ClN2O2Si and a molecular weight of 356.97 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID86711135
Molecular FormulaC17H29ClN2O2Si
Molecular Weight356.97 g/mol
Exact Mass356.17
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCCl)CCCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29ClN2O2Si/c1-12-13(9-10-18)16(21)20-11-7-8-14(15(20)19-12)22-23(5,6)17(2,3)4/h14H,7-11H2,1-6H3
InChIKeyRFFRVXTWIIJWQD-UHFFFAOYSA-N
XLogP4.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.97
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 86711135) is 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1CCCl)CCCC2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RFFRVXTWIIJWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2O2Si/c1-12-13(9-10-18)16(21)20-11-7-8-14(15(20)19-12)22-23(5,6)17(2,3)4/h14H,7-11H2,1-6H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 356.97 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 86711135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).