4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

Name: 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₁BN₂O₂ — CID 152712200

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

SMILESCc1ncnc2c(C)cc(B3OC(C)(C)C(C)(C)O3)cc12

InChIInChI=1S/C16H21BN2O2/c1-10-7-12(8-13-11(2)18-9-19-14(10)13)17-20-15(3,4)16(5,6)21-17/h7-9H,1-6H3

InChIKeyZTVMFPSRYDLNSK-UHFFFAOYSA-N

MW284.17 g/mol

LogP2.55

Rot. Bonds1

About 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (PubChem CID 152712200) has the molecular formula C₁₆H₂₁BN₂O₂ and a molecular weight of 284.17 g/mol. Its IUPAC name is 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

Molecular Properties

Compound Name	4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
PubChem CID	152712200
Molecular Formula	C₁₆H₂₁BN₂O₂
Molecular Weight	284.17 g/mol
Exact Mass	284.17
IUPAC Name	4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
SMILES	Cc1ncnc2c(C)cc(B3OC(C)(C)C(C)(C)O3)cc12
InChI	InChI=1S/C16H21BN2O2/c1-10-7-12(8-13-11(2)18-9-19-14(10)13)17-20-15(3,4)16(5,6)21-17/h7-9H,1-6H3
InChIKey	ZTVMFPSRYDLNSK-UHFFFAOYSA-N
XLogP	2.55
TPSA	44.24 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.17
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The IUPAC name of 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (CID 152712200) is 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

What is the SMILES notation for 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The canonical SMILES for 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is Cc1ncnc2c(C)cc(B3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

The InChIKey is ZTVMFPSRYDLNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BN2O2/c1-10-7-12(8-13-11(2)18-9-19-14(10)13)17-20-15(3,4)16(5,6)21-17/h7-9H,1-6H3.

What are the key properties of 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?

4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline has a molecular weight of 284.17 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is sourced from PubChem (CID 152712200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 152712200 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.