5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine

C17H23N5OSi — CID 142576061

IUPAC5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(C#C[Si](C)(C)C)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C17H23N5OSi/c1-11(2)13-9-20-12(6-7-24(3,4)5)8-14(13)23-15-10-21-17(19)22-16(15)18/h8-11H,1-5H3,(H4,18,19,21,22)
InChIKeyHZYTXILZPQZKQP-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.18
Rot. Bonds3

About 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine

5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine (PubChem CID 142576061) has the molecular formula C17H23N5OSi and a molecular weight of 341.49 g/mol. Its IUPAC name is 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
PubChem CID142576061
Molecular FormulaC17H23N5OSi
Molecular Weight341.49 g/mol
Exact Mass341.17
IUPAC Name5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(C#C[Si](C)(C)C)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C17H23N5OSi/c1-11(2)13-9-20-12(6-7-24(3,4)5)8-14(13)23-15-10-21-17(19)22-16(15)18/h8-11H,1-5H3,(H4,18,19,21,22)
InChIKeyHZYTXILZPQZKQP-UHFFFAOYSA-N
XLogP3.18
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine (CID 142576061) is 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine is CC(C)c1cnc(C#C[Si](C)(C)C)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The InChIKey is HZYTXILZPQZKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OSi/c1-11(2)13-9-20-12(6-7-24(3,4)5)8-14(13)23-15-10-21-17(19)22-16(15)18/h8-11H,1-5H3,(H4,18,19,21,22).
What are the key properties of 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine has a molecular weight of 341.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-propan-2-yl-2-(2-trimethylsilylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 142576061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).