4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C14H23BN2O3 — CID 134714886

IUPAC4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCc1nc(OC(C)C)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H23BN2O3/c1-9(2)18-12-16-8-11(10(3)17-12)15-19-13(4,5)14(6,7)20-15/h8-9H,1-7H3
InChIKeyLQRYNSXUJNYQBP-UHFFFAOYSA-N
MW278.16 g/mol
LogP1.87
Rot. Bonds3

About 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 134714886) has the molecular formula C14H23BN2O3 and a molecular weight of 278.16 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
PubChem CID134714886
Molecular FormulaC14H23BN2O3
Molecular Weight278.16 g/mol
Exact Mass278.18
IUPAC Name4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCc1nc(OC(C)C)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H23BN2O3/c1-9(2)18-12-16-8-11(10(3)17-12)15-19-13(4,5)14(6,7)20-15/h8-9H,1-7H3
InChIKeyLQRYNSXUJNYQBP-UHFFFAOYSA-N
XLogP1.87
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The IUPAC name of 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 134714886) is 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is Cc1nc(OC(C)C)ncc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The InChIKey is LQRYNSXUJNYQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BN2O3/c1-9(2)18-12-16-8-11(10(3)17-12)15-19-13(4,5)14(6,7)20-15/h8-9H,1-7H3.
What are the key properties of 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 278.16 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 134714886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).