4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one

C15H22N4OSi — CID 58464024

IUPAC4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one
SMILESCC1(C)CCN(c2ncc(C#C[Si](C)(C)C)cn2)C(=O)N1
InChIInChI=1S/C15H22N4OSi/c1-15(2)7-8-19(14(20)18-15)13-16-10-12(11-17-13)6-9-21(3,4)5/h10-11H,7-8H2,1-5H3,(H,18,20)
InChIKeyLLCIPAARRQFRNP-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.40
Rot. Bonds1

About 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one

4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one (PubChem CID 58464024) has the molecular formula C15H22N4OSi and a molecular weight of 302.45 g/mol. Its IUPAC name is 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one
PubChem CID58464024
Molecular FormulaC15H22N4OSi
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one
SMILESCC1(C)CCN(c2ncc(C#C[Si](C)(C)C)cn2)C(=O)N1
InChIInChI=1S/C15H22N4OSi/c1-15(2)7-8-19(14(20)18-15)13-16-10-12(11-17-13)6-9-21(3,4)5/h10-11H,7-8H2,1-5H3,(H,18,20)
InChIKeyLLCIPAARRQFRNP-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one?
The IUPAC name of 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one (CID 58464024) is 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one?
The canonical SMILES for 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one is CC1(C)CCN(c2ncc(C#C[Si](C)(C)C)cn2)C(=O)N1.
What is the InChIKey of 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one?
The InChIKey is LLCIPAARRQFRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OSi/c1-15(2)7-8-19(14(20)18-15)13-16-10-12(11-17-13)6-9-21(3,4)5/h10-11H,7-8H2,1-5H3,(H,18,20).
What are the key properties of 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one?
4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one has a molecular weight of 302.45 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[5-(2-trimethylsilylethynyl)pyrimidin-2-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 58464024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).