[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane

C21H24N2Si — CID 10735359

IUPAC[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C2=Cc3ccccc3C3=NCCCN23)cc1
InChIInChI=1S/C21H24N2Si/c1-24(2,3)18-11-9-16(10-12-18)20-15-17-7-4-5-8-19(17)21-22-13-6-14-23(20)21/h4-5,7-12,15H,6,13-14H2,1-3H3
InChIKeyXJOHPHSPUYUGES-UHFFFAOYSA-N
MW332.52 g/mol
LogP4.20
Rot. Bonds2

About [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane

[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane (PubChem CID 10735359) has the molecular formula C21H24N2Si and a molecular weight of 332.52 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane
PubChem CID10735359
Molecular FormulaC21H24N2Si
Molecular Weight332.52 g/mol
Exact Mass332.17
IUPAC Name[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C2=Cc3ccccc3C3=NCCCN23)cc1
InChIInChI=1S/C21H24N2Si/c1-24(2,3)18-11-9-16(10-12-18)20-15-17-7-4-5-8-19(17)21-22-13-6-14-23(20)21/h4-5,7-12,15H,6,13-14H2,1-3H3
InChIKeyXJOHPHSPUYUGES-UHFFFAOYSA-N
XLogP4.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane?
The IUPAC name of [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane (CID 10735359) is [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane.
What is the SMILES notation for [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane?
The canonical SMILES for [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(C2=Cc3ccccc3C3=NCCCN23)cc1.
What is the InChIKey of [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane?
The InChIKey is XJOHPHSPUYUGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2Si/c1-24(2,3)18-11-9-16(10-12-18)20-15-17-7-4-5-8-19(17)21-22-13-6-14-23(20)21/h4-5,7-12,15H,6,13-14H2,1-3H3.
What are the key properties of [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane?
[4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane has a molecular weight of 332.52 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-6-yl)phenyl]-trimethylsilane is sourced from PubChem (CID 10735359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).