1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane

C17H22Cl2N2OSi — CID 87375292

IUPAC1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane
SMILESCC(Cc1cc(Cc2ccc(Cl)cc2)nc(Cl)n1)O[Si](C)(C)C
InChIInChI=1S/C17H22Cl2N2OSi/c1-12(22-23(2,3)4)9-15-11-16(21-17(19)20-15)10-13-5-7-14(18)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyQDPKDYDGILDOQJ-UHFFFAOYSA-N
MW369.37 g/mol
LogP5.16
Rot. Bonds6

About 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane

1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane (PubChem CID 87375292) has the molecular formula C17H22Cl2N2OSi and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane
PubChem CID87375292
Molecular FormulaC17H22Cl2N2OSi
Molecular Weight369.37 g/mol
Exact Mass368.09
IUPAC Name1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane
SMILESCC(Cc1cc(Cc2ccc(Cl)cc2)nc(Cl)n1)O[Si](C)(C)C
InChIInChI=1S/C17H22Cl2N2OSi/c1-12(22-23(2,3)4)9-15-11-16(21-17(19)20-15)10-13-5-7-14(18)8-6-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyQDPKDYDGILDOQJ-UHFFFAOYSA-N
XLogP5.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane?
The IUPAC name of 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane (CID 87375292) is 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane.
What is the SMILES notation for 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane?
The canonical SMILES for 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane is CC(Cc1cc(Cc2ccc(Cl)cc2)nc(Cl)n1)O[Si](C)(C)C.
What is the InChIKey of 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane?
The InChIKey is QDPKDYDGILDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2OSi/c1-12(22-23(2,3)4)9-15-11-16(21-17(19)20-15)10-13-5-7-14(18)8-6-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane?
1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane has a molecular weight of 369.37 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-[(4-chlorophenyl)methyl]pyrimidin-4-yl]propan-2-yloxy-trimethylsilane is sourced from PubChem (CID 87375292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).